2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one

C23H24N8O2 — CID 135649578

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCOCC5)nc4C)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C23H24N8O2/c1-13-4-5-16-14(2)25-21(27-18(16)10-13)30-22-28-19(11-20(32)29-22)17-12-24-23(26-15(17)3)31-6-8-33-9-7-31/h4-5,10-12H,6-9H2,1-3H3,(H2,25,27,28,29,30,32)
InChIKeyKOXPWPSSTRMZDG-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.68
Rot. Bonds4

About 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one (PubChem CID 135649578) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
PubChem CID135649578
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCOCC5)nc4C)cc(=O)[nH]3)nc2c1
InChIInChI=1S/C23H24N8O2/c1-13-4-5-16-14(2)25-21(27-18(16)10-13)30-22-28-19(11-20(32)29-22)17-12-24-23(26-15(17)3)31-6-8-33-9-7-31/h4-5,10-12H,6-9H2,1-3H3,(H2,25,27,28,29,30,32)
InChIKeyKOXPWPSSTRMZDG-UHFFFAOYSA-N
XLogP2.68
TPSA121.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(2-chloroanilino)-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649558
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649614
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108
2-(3,5-dichloroanilino)-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649598
4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135649679
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135491610
2-(2,3-dimethylanilino)-4-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrimidin-6-one
CID 135649745
5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one
CID 66490356
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996082
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762516
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135786425

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one (CID 135649578) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one is Cc1ccc2c(C)nc(Nc3nc(-c4cnc(N5CCOCC5)nc4C)cc(=O)[nH]3)nc2c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one?
The InChIKey is KOXPWPSSTRMZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-13-4-5-16-14(2)25-21(27-18(16)10-13)30-22-28-19(11-20(32)29-22)17-12-24-23(26-15(17)3)31-6-8-33-9-7-31/h4-5,10-12H,6-9H2,1-3H3,(H2,25,27,28,29,30,32).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one has a molecular weight of 444.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135649578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).