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

C28H33N5O2 — CID 153321123

IUPACN-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1-c1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C28H33N5O2/c1-32(14-13-23-9-5-6-10-24(23)22-7-3-2-4-8-22)28-30-25(27(34)29-20-21-11-12-21)19-26(31-28)33-15-17-35-18-16-33/h2-10,19,21H,11-18,20H2,1H3,(H,29,34)
InChIKeyPHKKDXPSMGKHNM-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.80
Rot. Bonds9

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

N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 153321123) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID153321123
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC NameN-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1-c1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C28H33N5O2/c1-32(14-13-23-9-5-6-10-24(23)22-7-3-2-4-8-22)28-30-25(27(34)29-20-21-11-12-21)19-26(31-28)33-15-17-35-18-16-33/h2-10,19,21H,11-18,20H2,1H3,(H,29,34)
InChIKeyPHKKDXPSMGKHNM-UHFFFAOYSA-N
XLogP3.80
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pemrametostat
CID 90241742
Epz015666
CID 90241673
N-(cyclopropylmethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[(3S)-3-phenylpiperidin-1-yl]pyrimidine-4-carboxamide
CID 145998143
N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86295666
4-(benzhydrylamino)-2-piperazin-1-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25117612
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-((dimethylamino)methyl)phenyl)pyrimidine-4-carboxamide
CID 25182921
2-(4-acetylpiperazin-1-yl)-4-(benzhydrylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431796
4-(benzhydrylamino)-2-morpholin-4-yl-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431799
2-[4-[4-(benzhydrylamino)-7-oxo-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-2-yl]piperazin-1-yl]-N,N-dimethylacetamide
CID 57431802
4-(benzhydrylamino)-2-(2-methoxyethylamino)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57480939
1-[4-(7-benzoyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 59239089
6-[(1-acetylpiperidin-4-yl)amino]-N-[(2R)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 153321123) is N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is CN(CCc1ccccc1-c1ccccc1)c1nc(C(=O)NCC2CC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is PHKKDXPSMGKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-32(14-13-23-9-5-6-10-24(23)22-7-3-2-4-8-22)28-30-25(27(34)29-20-21-11-12-21)19-26(31-28)33-15-17-35-18-16-33/h2-10,19,21H,11-18,20H2,1H3,(H,29,34).
What are the key properties of N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(cyclopropylmethyl)-2-[methyl-[2-(2-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 3.80, 9 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-phenylphenyl)ethyl]amino]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 153321123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).