N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

C27H33N5O — CID 147722603

IUPACN-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C27H33N5O/c1-31(17-15-21-9-5-3-6-10-21)25-19-24(26(33)28-20-23-13-14-23)29-27(30-25)32(2)18-16-22-11-7-4-8-12-22/h3-12,19,23H,13-18,20H2,1-2H3,(H,28,33)
InChIKeyGWWDZNSOAFCWCH-UHFFFAOYSA-N
MW443.60 g/mol
LogP3.97
Rot. Bonds11

About N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 147722603) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
PubChem CID147722603
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC NameN-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1
InChIInChI=1S/C27H33N5O/c1-31(17-15-21-9-5-3-6-10-21)25-19-24(26(33)28-20-23-13-14-23)29-27(30-25)32(2)18-16-22-11-7-4-8-12-22/h3-12,19,23H,13-18,20H2,1-2H3,(H,28,33)
InChIKeyGWWDZNSOAFCWCH-UHFFFAOYSA-N
XLogP3.97
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-6-(3-hydroxy-2-oxoimidazolidin-1-yl)-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
CID 152592615
N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 148916671
2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 150620590
N-(cyclopropylmethyl)-3-[[4-[methyl(propyl)amino]-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide
CID 42824859
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171
N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 62173096
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 162645165
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328218

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (CID 147722603) is N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is CN(CCc1ccccc1)c1cc(C(=O)NCC2CC2)nc(N(C)CCc2ccccc2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is GWWDZNSOAFCWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-31(17-15-21-9-5-3-6-10-21)25-19-24(26(33)28-20-23-13-14-23)29-27(30-25)32(2)18-16-22-11-7-4-8-12-22/h3-12,19,23H,13-18,20H2,1-2H3,(H,28,33).
What are the key properties of N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 443.60 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2,6-bis[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 147722603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).