N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide

C23H31N5O2 — CID 153321077

IUPACN-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1ccccc1CCN(C)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O2/c1-17-5-3-4-6-19(17)9-10-27(2)23-25-20(22(29)24-16-18-7-8-18)15-21(26-23)28-11-13-30-14-12-28/h3-6,15,18H,7-14,16H2,1-2H3,(H,24,29)
InChIKeyJBQATLBGPVFWML-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.44
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321077) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321077
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1ccccc1CCN(C)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H31N5O2/c1-17-5-3-4-6-19(17)9-10-27(2)23-25-20(22(29)24-16-18-7-8-18)15-21(26-23)28-11-13-30-14-12-28/h3-6,15,18H,7-14,16H2,1-2H3,(H,24,29)
InChIKeyJBQATLBGPVFWML-UHFFFAOYSA-N
XLogP2.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pemrametostat
CID 90241742
Epz015666
CID 90241673
2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541719
N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
CID 145998143
(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[6-(1-methoxypropan-2-ylamino)-2-phenylpyrimidine-4-carbonyl]amino]-5-oxopentanoic acid
CID 12000684
N-(4-(aminomethyl)phenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182902
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide
CID 25182921
2-(4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzylamino)acetic acid
CID 25182923
2-((4-(6-(Cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamido)benzyl)(methyl)amino)acetic acid
CID 25182925
1-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 44182947
1-[6-methyl-2-(methylamino)-4-pyrimidinyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 44188852
4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431799

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321077) is N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is Cc1ccccc1CCN(C)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is JBQATLBGPVFWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-17-5-3-4-6-19(17)9-10-27(2)23-25-20(22(29)24-16-18-7-8-18)15-21(26-23)28-11-13-30-14-12-28/h3-6,15,18H,7-14,16H2,1-2H3,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[methyl-[2-(2-methylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).