N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide

C23H31N5O — CID 92560528

IUPACN-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide
SMILESCNc1cc(C[C@@H](NC(=O)CN2CCCC2)c2cccc(C)c2)nc(C2CC2)n1
InChIInChI=1S/C23H31N5O/c1-16-6-5-7-18(12-16)20(26-22(29)15-28-10-3-4-11-28)13-19-14-21(24-2)27-23(25-19)17-8-9-17/h5-7,12,14,17,20H,3-4,8-11,13,15H2,1-2H3,(H,26,29)(H,24,25,27)/t20-/m1/s1
InChIKeyLHEHBAXLPIEAHV-HXUWFJFHSA-N
MW393.54 g/mol
LogP3.20
Rot. Bonds8

About N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide

N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 92560528) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide
PubChem CID92560528
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide
SMILESCNc1cc(C[C@@H](NC(=O)CN2CCCC2)c2cccc(C)c2)nc(C2CC2)n1
InChIInChI=1S/C23H31N5O/c1-16-6-5-7-18(12-16)20(26-22(29)15-28-10-3-4-11-28)13-19-14-21(24-2)27-23(25-19)17-8-9-17/h5-7,12,14,17,20H,3-4,8-11,13,15H2,1-2H3,(H,26,29)(H,24,25,27)/t20-/m1/s1
InChIKeyLHEHBAXLPIEAHV-HXUWFJFHSA-N
XLogP3.20
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 110225631
N-[(1S)-2-(2-cyclobutyl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
CID 136682030
N-[2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-4-methoxycyclohexane-1-carboxamide
CID 110225619
N-[(1S)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-phenylethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 92610348
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
CID 92585527
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 110225630
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 110243936
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 92560515
N-[(1R)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-2-piperidin-1-ylacetamide
CID 136682047
N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]-2-methoxyacetamide
CID 110225613
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
N-[(1S)-1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-2-(1H-indol-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 92560753

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide (CID 92560528) is N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide is CNc1cc(C[C@@H](NC(=O)CN2CCCC2)c2cccc(C)c2)nc(C2CC2)n1.
What is the InChIKey of N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is LHEHBAXLPIEAHV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N5O/c1-16-6-5-7-18(12-16)20(26-22(29)15-28-10-3-4-11-28)13-19-14-21(24-2)27-23(25-19)17-8-9-17/h5-7,12,14,17,20H,3-4,8-11,13,15H2,1-2H3,(H,26,29)(H,24,25,27)/t20-/m1/s1.
What are the key properties of N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide?
N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 393.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 92560528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).