1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone

C17H17N5O — CID 647432

IUPAC1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(Nc2nc(C)c3ccc(C)cc3n2)nc1C
InChIInChI=1S/C17H17N5O/c1-9-5-6-13-10(2)20-17(21-15(13)7-9)22-16-18-8-14(12(4)23)11(3)19-16/h5-8H,1-4H3,(H,18,19,20,21,22)
InChIKeyFZBPPXGZWOKOGX-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.29
Rot. Bonds3

About 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone

1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 647432) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
PubChem CID647432
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(Nc2nc(C)c3ccc(C)cc3n2)nc1C
InChIInChI=1S/C17H17N5O/c1-9-5-6-13-10(2)20-17(21-15(13)7-9)22-16-18-8-14(12(4)23)11(3)19-16/h5-8H,1-4H3,(H,18,19,20,21,22)
InChIKeyFZBPPXGZWOKOGX-UHFFFAOYSA-N
XLogP3.29
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone with MolForge

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
1-(2-Aminophenyl)-3-[({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amino]propan-1-one
CID 11713130
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
3-{[4-(Quinolin-5-ylamino)pyrimidin-2-yl]amino}benzamide
CID 25138041
4-amino-2-methyl-N-(6-methylpyridin-3-yl)quinazoline-8-carboxamide
CID 53323641
4-amino-2,6-dimethyl-N-(6-methylpyridin-3-yl)quinazoline-8-carboxamide
CID 53326214
1-[2-[(6-Ethyl-4-methylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone
CID 941014

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone (CID 647432) is 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(Nc2nc(C)c3ccc(C)cc3n2)nc1C.
What is the InChIKey of 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is FZBPPXGZWOKOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-9-5-6-13-10(2)20-17(21-15(13)7-9)22-16-18-8-14(12(4)23)11(3)19-16/h5-8H,1-4H3,(H,18,19,20,21,22).
What are the key properties of 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 307.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 647432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).