4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C21H18FN5O — CID 135762516

IUPAC4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1cc2nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc(C)c2cc1C
InChIInChI=1S/C21H18FN5O/c1-11-8-16-13(3)23-20(25-18(16)9-12(11)2)27-21-24-17(10-19(28)26-21)14-4-6-15(22)7-5-14/h4-10H,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyADMQVRBPHGQXDC-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.19
Rot. Bonds3

About 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135762516) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID135762516
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCc1cc2nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc(C)c2cc1C
InChIInChI=1S/C21H18FN5O/c1-11-8-16-13(3)23-20(25-18(16)9-12(11)2)27-21-24-17(10-19(28)26-21)14-4-6-15(22)7-5-14/h4-10H,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyADMQVRBPHGQXDC-UHFFFAOYSA-N
XLogP4.19
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 135762516) is 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is Cc1cc2nc(Nc3nc(-c4ccc(F)cc4)cc(=O)[nH]3)nc(C)c2cc1C.
What is the InChIKey of 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ADMQVRBPHGQXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-11-8-16-13(3)23-20(25-18(16)9-12(11)2)27-21-24-17(10-19(28)26-21)14-4-6-15(22)7-5-14/h4-10H,1-3H3,(H2,23,24,25,26,27,28).
What are the key properties of 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 375.41 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135762516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).