2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C15H12F3N5O — CID 135786425

IUPAC2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1ccc2nc(Nc3nc(C(F)(F)F)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C15H12F3N5O/c1-7-3-4-10-9(5-7)8(2)19-13(20-10)23-14-21-11(15(16,17)18)6-12(24)22-14/h3-6H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyPLAFSSTWRFNKSA-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.09
Rot. Bonds2

About 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 135786425) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID135786425
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1ccc2nc(Nc3nc(C(F)(F)F)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C15H12F3N5O/c1-7-3-4-10-9(5-7)8(2)19-13(20-10)23-14-21-11(15(16,17)18)6-12(24)22-14/h3-6H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyPLAFSSTWRFNKSA-UHFFFAOYSA-N
XLogP3.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135491610
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 135644170
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 780214
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762516
ethyl 3-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659120
2-(4-bromoanilino)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741309
2-[(3-methylphenyl)methylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741416
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
4,6-dimethyl-2-(trifluoromethyl)quinoline
CID 70809225

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 135786425) is 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1ccc2nc(Nc3nc(C(F)(F)F)cc(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is PLAFSSTWRFNKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-7-3-4-10-9(5-7)8(2)19-13(20-10)23-14-21-11(15(16,17)18)6-12(24)22-14/h3-6H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 335.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135786425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).