2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one

C12H15FN4O — CID 126740466

IUPAC2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESCC(C)NC1=NC(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C12H15FN4O/c1-7(2)14-11-15-10(16-12(18)17-11)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H3,14,15,16,17,18)
InChIKeyHDPPPTWASCTOCU-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.49
Rot. Bonds2

About 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one

2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one (PubChem CID 126740466) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
PubChem CID126740466
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one
SMILESCC(C)NC1=NC(c2ccc(F)cc2)NC(=O)N1
InChIInChI=1S/C12H15FN4O/c1-7(2)14-11-15-10(16-12(18)17-11)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H3,14,15,16,17,18)
InChIKeyHDPPPTWASCTOCU-UHFFFAOYSA-N
XLogP1.49
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-3-cyclohexylurea
CID 544877
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
1-Tert-butyl-3-(alpha-methylbenzyl)urea
CID 306576
4-(Benzylamino)-6-(ethylamino)-1,3,5-triazine-2-thiol
CID 976819
1-Benzyl-3-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]urea
CID 790168
4-amino-2-(4-fluorophenyl)-2,5-dihydro-1H-1,3,5-triazin-6-one
CID 118577456
Methyl [5-(3-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23274544
N-cyclohexyl-N'-(4-methylbenzyl)urea
CID 840481
1-Cyclohexyl-3-(1-phenylethyl)urea
CID 2930832
1-cyclohexyl-3-[(1S)-1-phenylethyl]urea
CID 840472
N-Benzyl-N'-tert-butylurea
CID 306574
N-benzyl-N'-cyclohexyl-N-methylurea
CID 306664

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The IUPAC name of 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one (CID 126740466) is 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one is CC(C)NC1=NC(c2ccc(F)cc2)NC(=O)N1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
The InChIKey is HDPPPTWASCTOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c1-7(2)14-11-15-10(16-12(18)17-11)8-3-5-9(13)6-4-8/h3-7,10H,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one?
2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one has a molecular weight of 250.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(propan-2-ylamino)-2,5-dihydro-1H-1,3,5-triazin-6-one is sourced from PubChem (CID 126740466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).