N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide

C24H26N4O2 — CID 148831598

IUPACN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(Oc2ccccc2)cc(C(=O)NCC2CC2)n1
InChIInChI=1S/C24H26N4O2/c1-28(15-14-18-8-4-2-5-9-18)24-26-21(23(29)25-17-19-12-13-19)16-22(27-24)30-20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3,(H,25,29)
InChIKeyOTUBOZNICHRLRL-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.09
Rot. Bonds9

About N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide (PubChem CID 148831598) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide
PubChem CID148831598
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(Oc2ccccc2)cc(C(=O)NCC2CC2)n1
InChIInChI=1S/C24H26N4O2/c1-28(15-14-18-8-4-2-5-9-18)24-26-21(23(29)25-17-19-12-13-19)16-22(27-24)30-20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3,(H,25,29)
InChIKeyOTUBOZNICHRLRL-UHFFFAOYSA-N
XLogP4.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclohexyl-2-({4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl}formamido)-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648340
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-3-methoxybenzamide
CID 45485028
2-(ethylamino)-6-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71540073
N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 148916671
N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenoxyphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 153321112
N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 162651544
N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 162655083
6-Methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 162658767
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (4-phenoxy-phenyl)-amide
CID 647340
1-(4-((2-(Benzylamino)-6-methylpyrimidin-4-yl)oxy)phenyl)ethanone
CID 721063
4-Isobutyl-6-({3-[(4-methoxyphenyl)amino]-1-piperidinyl}carbonyl)-2-pyrimidinamine
CID 24794180
2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541723

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide (CID 148831598) is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(Oc2ccccc2)cc(C(=O)NCC2CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide?
The InChIKey is OTUBOZNICHRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-28(15-14-18-8-4-2-5-9-18)24-26-21(23(29)25-17-19-12-13-19)16-22(27-24)30-20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3,(H,25,29).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-phenoxypyrimidine-4-carboxamide is sourced from PubChem (CID 148831598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).