7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one

C19H25N7O — CID 16584647

IUPAC7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one
SMILESCNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H25N7O/c1-19(2)11-13-15(14(27)12-19)16(20-3)24-18(23-13)26-9-7-25(8-10-26)17-21-5-4-6-22-17/h4-6H,7-12H2,1-3H3,(H,20,23,24)
InChIKeyXMFOISKYLALIKA-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.79
Rot. Bonds3

About 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one

7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one (PubChem CID 16584647) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one
PubChem CID16584647
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one
SMILESCNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C19H25N7O/c1-19(2)11-13-15(14(27)12-19)16(20-3)24-18(23-13)26-9-7-25(8-10-26)17-21-5-4-6-22-17/h4-6H,7-12H2,1-3H3,(H,20,23,24)
InChIKeyXMFOISKYLALIKA-UHFFFAOYSA-N
XLogP1.79
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one with MolForge

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-7,7-dimethyl-4-(methylamino)-6,8-dihydroquinazolin-5-one
CID 16584645
7-methyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 17036467
2-(4-ethylpiperazin-1-yl)-4,7,7-trimethyl-6,8-dihydroquinazolin-5-one
CID 17190233
(7S)-4-anilino-7-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160218
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52996241
2-(4-benzylpiperazin-1-yl)-4-(methylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584618
(7S)-4-(ethylamino)-7-(furan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 29160235
7-(furan-2-yl)-4-(methylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 17168734
4-[(7S)-7-(furan-2-yl)-4-(methylamino)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]piperazine-1-carbaldehyde
CID 41286472
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4-(methylamino)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one
CID 41387353
4-anilino-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7-thiophen-2-yl-7,8-dihydro-6H-quinazolin-5-one
CID 43902959
9-cyclopropyl-3,3,6,6-tetramethyl-2,4,5,7-tetrahydroacridine-1,8-dione
CID 11997057

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one?
The IUPAC name of 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one (CID 16584647) is 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one is CNc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one?
The InChIKey is XMFOISKYLALIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-19(2)11-13-15(14(27)12-19)16(20-3)24-18(23-13)26-9-7-25(8-10-26)17-21-5-4-6-22-17/h4-6H,7-12H2,1-3H3,(H,20,23,24).
What are the key properties of 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one?
7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one has a molecular weight of 367.46 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-(methylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 16584647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).