N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine

C62H65F6N9O6 — CID 160698237

IUPACN-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine
SMILESCC(C)Nc1cc(N)cc(C(F)(F)F)c1.Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1CC(=O)Cc1cc(NC(C)C)cc(C(F)(F)F)c1.Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1CC(=O)Cc1ccccc1
InChIInChI=1S/C28H29F3N4O3.C24H23N3O3.C10H13F3N2/c1-16(2)34-22-10-18(9-21(13-22)28(29,30)31)11-23(36)12-20-6-7-24(8-17(20)3)38-26-14-25(32-15-33-26)35-27(37)19-4-5-19;1-16-11-21(10-9-19(16)13-20(28)12-17-5-3-2-4-6-17)30-23-14-22(25-15-26-23)27-24(29)18-7-8-18;1-6(2)15-9-4-7(10(11,12)13)3-8(14)5-9/h6-10,13-16,19,34H,4-5,11-12H2,1-3H3,(H,32,33,35,37);2-6,9-11,14-15,18H,7-8,12-13H2,1H3,(H,25,26,27,29);3-6,15H,14H2,1-2H3
InChIKeyRQGRAPKPVXMCNP-UHFFFAOYSA-N
MW1146.25 g/mol
LogP13.51
Rot. Bonds20

About N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine

N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine (PubChem CID 160698237) has the molecular formula C62H65F6N9O6 and a molecular weight of 1146.25 g/mol. Its IUPAC name is N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine.

Molecular Properties

Compound NameN-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine
PubChem CID160698237
Molecular FormulaC62H65F6N9O6
Molecular Weight1146.25 g/mol
Exact Mass1145.50
IUPAC NameN-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine
SMILESCC(C)Nc1cc(N)cc(C(F)(F)F)c1.Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1CC(=O)Cc1cc(NC(C)C)cc(C(F)(F)F)c1.Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1CC(=O)Cc1ccccc1
InChIInChI=1S/C28H29F3N4O3.C24H23N3O3.C10H13F3N2/c1-16(2)34-22-10-18(9-21(13-22)28(29,30)31)11-23(36)12-20-6-7-24(8-17(20)3)38-26-14-25(32-15-33-26)35-27(37)19-4-5-19;1-16-11-21(10-9-19(16)13-20(28)12-17-5-3-2-4-6-17)30-23-14-22(25-15-26-23)27-24(29)18-7-8-18;1-6(2)15-9-4-7(10(11,12)13)3-8(14)5-9/h6-10,13-16,19,34H,4-5,11-12H2,1-3H3,(H,32,33,35,37);2-6,9-11,14-15,18H,7-8,12-13H2,1H3,(H,25,26,27,29);3-6,15H,14H2,1-2H3
InChIKeyRQGRAPKPVXMCNP-UHFFFAOYSA-N
XLogP13.51
TPSA212.44 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001146.25
LogP ≤ 513.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine with MolForge

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Related Compounds

6-((6-acetamidopyrimidin-4-yl)oxy)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-1-naphthamide
CID 67406169
7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-N-[3-[(isopropylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355459
N-(6-(4-(2-((4-((4-Methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide
CID 71566751
US9359338, Exe. 073
CID 118233914
US9359338, Exe. 076
CID 118234016
6-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 16071548
6-(6-aminopyrimidin-4-yl)oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 16071549
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(3-aminopiperidin-1-yl)-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23652572
tert-butyl N-[1-[4-[[6-(6-acetamidopyrimidin-4-yl)oxynaphthalene-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]piperidin-3-yl]carbamate
CID 23652644
6-(6-Acetylamino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid [4-[(3R)-3-amino-1-piperidinyl]-3-trifluoromethyl-phenyl]-amide
CID 23652931
6-(6-Acetylamino-pyrimidin-4-yloxy)-naphthalene-1-carboxylic acid [4-[(3S)-3-amino-1-piperidinyl]-3-trifluoromethyl-phenyl]-amide
CID 23652997
6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(2-methyl-4-phenylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 23652998

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine?
The IUPAC name of N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine (CID 160698237) is N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine.
What is the SMILES notation for N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine?
The canonical SMILES for N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine is CC(C)Nc1cc(N)cc(C(F)(F)F)c1.Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1CC(=O)Cc1cc(NC(C)C)cc(C(F)(F)F)c1.Cc1cc(Oc2cc(NC(=O)C3CC3)ncn2)ccc1CC(=O)Cc1ccccc1.
What is the InChIKey of N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine?
The InChIKey is RQGRAPKPVXMCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O3.C24H23N3O3.C10H13F3N2/c1-16(2)34-22-10-18(9-21(13-22)28(29,30)31)11-23(36)12-20-6-7-24(8-17(20)3)38-26-14-25(32-15-33-26)35-27(37)19-4-5-19;1-16-11-21(10-9-19(16)13-20(28)12-17-5-3-2-4-6-17)30-23-14-22(25-15-26-23)27-24(29)18-7-8-18;1-6(2)15-9-4-7(10(11,12)13)3-8(14)5-9/h6-10,13-16,19,34H,4-5,11-12H2,1-3H3,(H,32,33,35,37);2-6,9-11,14-15,18H,7-8,12-13H2,1H3,(H,25,26,27,29);3-6,15H,14H2,1-2H3.
What are the key properties of N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine?
N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine has a molecular weight of 1146.25 g/mol, XLogP of 13.51, 20 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-methyl-4-(2-oxo-3-phenylpropyl)phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;N-[6-[3-methyl-4-[2-oxo-3-[3-(propan-2-ylamino)-5-(trifluoromethyl)phenyl]propyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide;3-N-propan-2-yl-5-(trifluoromethyl)benzene-1,3-diamine is sourced from PubChem (CID 160698237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).