3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one

C19H22N6O — CID 126887882

IUPAC3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
SMILESCc1cc(NC2CCN(c3nc4ccccc4c(=O)n3C)CC2)ncn1
InChIInChI=1S/C19H22N6O/c1-13-11-17(21-12-20-13)22-14-7-9-25(10-8-14)19-23-16-6-4-3-5-15(16)18(26)24(19)2/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyWGQICMPOWRXSNX-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.11
Rot. Bonds3

About 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one

3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one (PubChem CID 126887882) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
PubChem CID126887882
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
SMILESCc1cc(NC2CCN(c3nc4ccccc4c(=O)n3C)CC2)ncn1
InChIInChI=1S/C19H22N6O/c1-13-11-17(21-12-20-13)22-14-7-9-25(10-8-14)19-23-16-6-4-3-5-15(16)18(26)24(19)2/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,21,22)
InChIKeyWGQICMPOWRXSNX-UHFFFAOYSA-N
XLogP2.11
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one (CID 126887882) is 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one is Cc1cc(NC2CCN(c3nc4ccccc4c(=O)n3C)CC2)ncn1.
What is the InChIKey of 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one?
The InChIKey is WGQICMPOWRXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-11-17(21-12-20-13)22-14-7-9-25(10-8-14)19-23-16-6-4-3-5-15(16)18(26)24(19)2/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one?
3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one has a molecular weight of 350.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126887882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).