2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one

C19H19ClN6O2 — CID 135649558

IUPAC2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(Nc2ccccc2Cl)n1
InChIInChI=1S/C19H19ClN6O2/c1-12-13(11-21-19(22-12)26-6-8-28-9-7-26)16-10-17(27)25-18(24-16)23-15-5-3-2-4-14(15)20/h2-5,10-11H,6-9H2,1H3,(H2,23,24,25,27)
InChIKeyVYGKQEASXPOOIX-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.77
Rot. Bonds4

About 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one

2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one (PubChem CID 135649558) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
PubChem CID135649558
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
SMILESCc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(Nc2ccccc2Cl)n1
InChIInChI=1S/C19H19ClN6O2/c1-12-13(11-21-19(22-12)26-6-8-28-9-7-26)16-10-17(27)25-18(24-16)23-15-5-3-2-4-14(15)20/h2-5,10-11H,6-9H2,1H3,(H2,23,24,25,27)
InChIKeyVYGKQEASXPOOIX-UHFFFAOYSA-N
XLogP2.77
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649578
2-(3,5-dichloroanilino)-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649598
2-(2,3-dimethylanilino)-4-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrimidin-6-one
CID 135649745
4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135649679
5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one
CID 66490356
4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
CID 174507871
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649614
N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589315
2-N,4-N-bis(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955710
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
2-anilino-4-(4-methyl-6-morpholin-4-ylpyridazin-3-yl)-1H-pyrimidin-6-one
CID 170655988
2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504653

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one (CID 135649558) is 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one is Cc1nc(N2CCOCC2)ncc1-c1cc(=O)[nH]c(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one?
The InChIKey is VYGKQEASXPOOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-12-13(11-21-19(22-12)26-6-8-28-9-7-26)16-10-17(27)25-18(24-16)23-15-5-3-2-4-14(15)20/h2-5,10-11H,6-9H2,1H3,(H2,23,24,25,27).
What are the key properties of 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one?
2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one has a molecular weight of 398.85 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).