4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C22H21N5O2 — CID 135762529

IUPAC4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1cc(=O)[nH]c(Nc2nc(C)c3cc(C)cc(C)c3n2)n1
InChIInChI=1S/C22H21N5O2/c1-12-9-13(2)20-16(10-12)14(3)23-21(26-20)27-22-24-17(11-19(28)25-22)15-7-5-6-8-18(15)29-4/h5-11H,1-4H3,(H2,23,24,25,26,27,28)
InChIKeyKXUDXAOCJLETNA-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.06
Rot. Bonds4

About 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135762529) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID135762529
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1cc(=O)[nH]c(Nc2nc(C)c3cc(C)cc(C)c3n2)n1
InChIInChI=1S/C22H21N5O2/c1-12-9-13(2)20-16(10-12)14(3)23-21(26-20)27-22-24-17(11-19(28)25-22)15-7-5-6-8-18(15)29-4/h5-11H,1-4H3,(H2,23,24,25,26,27,28)
InChIKeyKXUDXAOCJLETNA-UHFFFAOYSA-N
XLogP4.06
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645112
4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135645110
2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135762523
4,5-dimethyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135402276
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135895753
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 135644170
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762516
5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762344
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135491610
4,6,8-trimethyl-N-(4,5,6-trimethylpyrimidin-2-yl)quinazolin-2-amine
CID 23881466
4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135895760

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 135762529) is 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is COc1ccccc1-c1cc(=O)[nH]c(Nc2nc(C)c3cc(C)cc(C)c3n2)n1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is KXUDXAOCJLETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-12-9-13(2)20-16(10-12)14(3)23-21(26-20)27-22-24-17(11-19(28)25-22)15-7-5-6-8-18(15)29-4/h5-11H,1-4H3,(H2,23,24,25,26,27,28).
What are the key properties of 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 387.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135762529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).