7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C18H23N7O — CID 17036467

IUPAC7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C18H23N7O/c1-12-10-13-15(14(26)11-12)16(19-2)23-18(22-13)25-8-6-24(7-9-25)17-20-4-3-5-21-17/h3-5,12H,6-11H2,1-2H3,(H,19,22,23)
InChIKeyFQKNBUCQTNFDPI-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.40
Rot. Bonds3

About 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 17036467) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID17036467
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C18H23N7O/c1-12-10-13-15(14(26)11-12)16(19-2)23-18(22-13)25-8-6-24(7-9-25)17-20-4-3-5-21-17/h3-5,12H,6-11H2,1-2H3,(H,19,22,23)
InChIKeyFQKNBUCQTNFDPI-UHFFFAOYSA-N
XLogP1.40
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 17036467) is 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is CNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is FQKNBUCQTNFDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-12-10-13-15(14(26)11-12)16(19-2)23-18(22-13)25-8-6-24(7-9-25)17-20-4-3-5-21-17/h3-5,12H,6-11H2,1-2H3,(H,19,22,23).
What are the key properties of 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 353.43 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 17036467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).