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

C21H22N6O2 — CID 40961693

IUPAC(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2
InChIInChI=1S/C21H22N6O2/c1-14-19-16(12-15(13-17(19)28)18-4-2-11-29-18)25-21(24-14)27-9-7-26(8-10-27)20-22-5-3-6-23-20/h2-6,11,15H,7-10,12-13H2,1H3/t15-/m1/s1
InChIKeyVJPMPWRAUZCFNW-OAHLLOKOSA-N
MW390.45 g/mol
LogP2.41
Rot. Bonds3

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

(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 40961693) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID40961693
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2
InChIInChI=1S/C21H22N6O2/c1-14-19-16(12-15(13-17(19)28)18-4-2-11-29-18)25-21(24-14)27-9-7-26(8-10-27)20-22-5-3-6-23-20/h2-6,11,15H,7-10,12-13H2,1H3/t15-/m1/s1
InChIKeyVJPMPWRAUZCFNW-OAHLLOKOSA-N
XLogP2.41
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 40961693) is (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(c3ncccn3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2.
What is the InChIKey of (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is VJPMPWRAUZCFNW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-19-16(12-15(13-17(19)28)18-4-2-11-29-18)25-21(24-14)27-9-7-26(8-10-27)20-22-5-3-6-23-20/h2-6,11,15H,7-10,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
(7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 390.45 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(furan-2-yl)-4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 40961693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).