2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one

C17H14N4OS — CID 71625883

IUPAC2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2c2ccncn2)s1
InChIInChI=1S/C17H14N4OS/c1-11-6-7-14(23-11)16-20-13-5-3-2-4-12(13)17(22)21(16)15-8-9-18-10-19-15/h2-10,16,20H,1H3
InChIKeyVWJWAYPKZGMPLP-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.62
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one

2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one (PubChem CID 71625883) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one
PubChem CID71625883
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(C2Nc3ccccc3C(=O)N2c2ccncn2)s1
InChIInChI=1S/C17H14N4OS/c1-11-6-7-14(23-11)16-20-13-5-3-2-4-12(13)17(22)21(16)15-8-9-18-10-19-15/h2-10,16,20H,1H3
InChIKeyVWJWAYPKZGMPLP-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
(3S)-3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492937
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-3-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492945
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-4-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492955
3-(5-ethylthiophen-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492968
3-(5-ethylthiophen-2-yl)-2-[5-(2-fluoro-3-pyridinyl)pyrimidin-2-yl]-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492971
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
N-[2-(3-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 1477562
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
5-[2-[3-(3-morpholin-4-ylpropyl)anilino]pyrimidin-4-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 16036800

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one (CID 71625883) is 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one is Cc1ccc(C2Nc3ccccc3C(=O)N2c2ccncn2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is VWJWAYPKZGMPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-6-7-14(23-11)16-20-13-5-3-2-4-12(13)17(22)21(16)15-8-9-18-10-19-15/h2-10,16,20H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one?
2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 322.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-pyrimidin-4-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71625883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).