N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C19H17ClF3N5O — CID 59825953

IUPACN-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CNCc2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cn1
InChIInChI=1S/C19H17ClF3N5O/c1-29-16-6-5-12(9-25-16)8-24-10-13-11-26-18(28-17(13)19(21,22)23)27-15-4-2-3-14(20)7-15/h2-7,9,11,24H,8,10H2,1H3,(H,26,27,28)
InChIKeyIMVDFPHGMKZQFI-UHFFFAOYSA-N
MW423.83 g/mol
LogP4.59
Rot. Bonds7

About N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 59825953) has the molecular formula C19H17ClF3N5O and a molecular weight of 423.83 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID59825953
Molecular FormulaC19H17ClF3N5O
Molecular Weight423.83 g/mol
Exact Mass423.11
IUPAC NameN-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1ccc(CNCc2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cn1
InChIInChI=1S/C19H17ClF3N5O/c1-29-16-6-5-12(9-25-16)8-24-10-13-11-26-18(28-17(13)19(21,22)23)27-15-4-2-3-14(20)7-15/h2-7,9,11,24H,8,10H2,1H3,(H,26,27,28)
InChIKeyIMVDFPHGMKZQFI-UHFFFAOYSA-N
XLogP4.59
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.83
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-5-[(dimethylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 11509091
[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 58168920
N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 69232407
1-[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]ethanol
CID 59825980
N-[(2-bromo-5-chlorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 66161046
N-[(6-methoxy-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 28712185
1-(3-chloro-4-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 81144859
[1-[[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methanol;formic acid
CID 11575936
N-[(2-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 62390689
1-(3-chlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 43206298
2-(3-chloroanilino)-N-[(2-chloro-4-fluorophenyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10321948
1-[2-(3-chlorophenyl)ethyl]-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111357844

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 59825953) is N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is COc1ccc(CNCc2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cn1.
What is the InChIKey of N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is IMVDFPHGMKZQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O/c1-29-16-6-5-12(9-25-16)8-24-10-13-11-26-18(28-17(13)19(21,22)23)27-15-4-2-3-14(20)7-15/h2-7,9,11,24H,8,10H2,1H3,(H,26,27,28).
What are the key properties of N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 423.83 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 59825953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).