2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one

C17H18N6O2 — CID 137264350

IUPAC2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESCOc1ccnc(N2CCN(c3nc4ccccc4c(=O)[nH]3)CC2)n1
InChIInChI=1S/C17H18N6O2/c1-25-14-6-7-18-16(20-14)22-8-10-23(11-9-22)17-19-13-5-3-2-4-12(13)15(24)21-17/h2-7H,8-11H2,1H3,(H,19,21,24)
InChIKeyIQMJPKTYLLAKJE-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.05
Rot. Bonds3

About 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one (PubChem CID 137264350) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
PubChem CID137264350
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
SMILESCOc1ccnc(N2CCN(c3nc4ccccc4c(=O)[nH]3)CC2)n1
InChIInChI=1S/C17H18N6O2/c1-25-14-6-7-18-16(20-14)22-8-10-23(11-9-22)17-19-13-5-3-2-4-12(13)15(24)21-17/h2-7H,8-11H2,1H3,(H,19,21,24)
InChIKeyIQMJPKTYLLAKJE-UHFFFAOYSA-N
XLogP1.05
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one
CID 137264492
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
CID 136673956
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-phenylmethanethione;hydrochloride
CID 22617971
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylic acid
CID 138003725
2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163350559
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one (CID 137264350) is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one is COc1ccnc(N2CCN(c3nc4ccccc4c(=O)[nH]3)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one?
The InChIKey is IQMJPKTYLLAKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-25-14-6-7-18-16(20-14)22-8-10-23(11-9-22)17-19-13-5-3-2-4-12(13)15(24)21-17/h2-7H,8-11H2,1H3,(H,19,21,24).
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one?
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one has a molecular weight of 338.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137264350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).