4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one

C21H24N6O — CID 135649679

IUPAC4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(NCCc2ccccc2)n1
InChIInChI=1S/C21H24N6O/c1-15-17(14-23-21(24-15)27-11-5-6-12-27)18-13-19(28)26-20(25-18)22-10-9-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H2,22,25,26,28)
InChIKeyRXPOBNPMHWYZIH-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.79
Rot. Bonds6

About 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one

4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one (PubChem CID 135649679) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one
PubChem CID135649679
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(NCCc2ccccc2)n1
InChIInChI=1S/C21H24N6O/c1-15-17(14-23-21(24-15)27-11-5-6-12-27)18-13-19(28)26-20(25-18)22-10-9-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H2,22,25,26,28)
InChIKeyRXPOBNPMHWYZIH-UHFFFAOYSA-N
XLogP2.79
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dichloroanilino)-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649598
2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649558
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649614
2-(2,3-dimethylanilino)-4-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrimidin-6-one
CID 135649745
2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504378
4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 171989063
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649578
4-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135649753
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941265
(4R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2-phenylethyl)azepan-4-amine
CID 26344248

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one (CID 135649679) is 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one is Cc1nc(N2CCCC2)ncc1-c1cc(=O)[nH]c(NCCc2ccccc2)n1.
What is the InChIKey of 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one?
The InChIKey is RXPOBNPMHWYZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-17(14-23-21(24-15)27-11-5-6-12-27)18-13-19(28)26-20(25-18)22-10-9-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H2,22,25,26,28).
What are the key properties of 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one?
4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one has a molecular weight of 376.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135649679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).