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

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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).