N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C22H29N5O — CID 153321091

IUPACN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCC2)n1
InChIInChI=1S/C22H29N5O/c1-26(14-11-17-7-3-2-4-8-17)22-24-19(21(28)23-16-18-9-10-18)15-20(25-22)27-12-5-6-13-27/h2-4,7-8,15,18H,5-6,9-14,16H2,1H3,(H,23,28)
InChIKeyWFIPUUMPPUPNIO-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.90
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 153321091) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID153321091
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCC2)n1
InChIInChI=1S/C22H29N5O/c1-26(14-11-17-7-3-2-4-8-17)22-24-19(21(28)23-16-18-9-10-18)15-20(25-22)27-12-5-6-13-27/h2-4,7-8,15,18H,5-6,9-14,16H2,1H3,(H,23,28)
InChIKeyWFIPUUMPPUPNIO-UHFFFAOYSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N4,N6-Bis((3-methylphenyl)methyl)pyrimidine-4,6-dicarboxamide
CID 5289109
2-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
CID 53251797
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
N4,N6-dibenzylpyrimidine-4,6-dicarboxamide
CID 15052873
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093
N-(4-{[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]amino}phenyl)-2-phenylacetamide
CID 18566671
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-3,4-difluorobenzamide
CID 23027679
N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-4-fluorobenzamide
CID 23027830
4-(benzhydrylamino)-2-piperazin-1-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25117612
2-(4-acetylpiperazin-1-yl)-4-[2-(4-chlorophenyl)propylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25120809
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25121856

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 153321091) is N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is WFIPUUMPPUPNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-26(14-11-17-7-3-2-4-8-17)22-24-19(21(28)23-16-18-9-10-18)15-20(25-22)27-12-5-6-13-27/h2-4,7-8,15,18H,5-6,9-14,16H2,1H3,(H,23,28).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl(2-phenylethyl)amino]-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.90, 8 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-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).