N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

C24H34N6O — CID 153321119

IUPACN-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C24H34N6O/c1-28(2)20-12-14-30(17-20)22-15-21(23(31)25-16-19-9-10-19)26-24(27-22)29(3)13-11-18-7-5-4-6-8-18/h4-8,15,19-20H,9-14,16-17H2,1-3H3,(H,25,31)
InChIKeyJAVRTYXUFDNXSM-UHFFFAOYSA-N
MW422.58 g/mol
LogP2.44
Rot. Bonds9

About N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide

N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 153321119) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
PubChem CID153321119
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC NameN-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C24H34N6O/c1-28(2)20-12-14-30(17-20)22-15-21(23(31)25-16-19-9-10-19)26-24(27-22)29(3)13-11-18-7-5-4-6-8-18/h4-8,15,19-20H,9-14,16-17H2,1-3H3,(H,25,31)
InChIKeyJAVRTYXUFDNXSM-UHFFFAOYSA-N
XLogP2.44
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-methylmethanesulfonamido)pyridine-4-carboxamide
CID 23647390
N-[(2S,3S)-3-amino-1-phenylheptan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-propylmethanesulfonamido)pyridine-4-carboxamide
CID 23647391
N-[(2S,3S)-3-amino-1-phenylbutan-2-yl]-2-[methyl({[(1S,2S)-2-methylcyclopropyl]methyl})amino]-6-(N-propylmethanesulfonamido)pyridine-4-carboxamide
CID 23647392
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-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)-3,4-difluorobenzamide
CID 23027679
N-((cis)-4-(4-(dimethylamino)-5,6-dimethylpyrimidin-2-ylamino)cyclohexyl)-3,4-difluorobenzamide
CID 23027806
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
4-(benzhydrylamino)-2-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25117615

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide (CID 153321119) is N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCC(N(C)C)C2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is JAVRTYXUFDNXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-28(2)20-12-14-30(17-20)22-15-21(23(31)25-16-19-9-10-19)26-24(27-22)29(3)13-11-18-7-5-4-6-8-18/h4-8,15,19-20H,9-14,16-17H2,1-3H3,(H,25,31).
What are the key properties of N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 422.58 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[3-(dimethylamino)pyrrolidin-1-yl]-2-[methyl(2-phenylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 153321119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).