5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine

C16H17FN4 — CID 178189631

IUPAC5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine
SMILESFC1CNC(Nc2ccccc2)N=C1Nc1ccccc1
InChIInChI=1S/C16H17FN4/c17-14-11-18-16(20-13-9-5-2-6-10-13)21-15(14)19-12-7-3-1-4-8-12/h1-10,14,16,18,20H,11H2,(H,19,21)
InChIKeyFGFPLVGYMBOJNL-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.83
Rot. Bonds3

About 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine

5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine (PubChem CID 178189631) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine
PubChem CID178189631
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine
SMILESFC1CNC(Nc2ccccc2)N=C1Nc1ccccc1
InChIInChI=1S/C16H17FN4/c17-14-11-18-16(20-13-9-5-2-6-10-13)21-15(14)19-12-7-3-1-4-8-12/h1-10,14,16,18,20H,11H2,(H,19,21)
InChIKeyFGFPLVGYMBOJNL-UHFFFAOYSA-N
XLogP2.83
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-cyclopropylaniline;hydrochloride
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N-(aziridin-2-ylmethyl)aniline
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1-N-[3-(4-anilinoanilino)-2,2,4,4-tetramethylcyclobutyl]-4-N-phenylbenzene-1,4-diamine
CID 130467285
3-fluoro-2-(4-fluorophenyl)-N-phenyl-3H-1,5-benzodiazepin-4-amine
CID 132967654
5-methyl-N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 57292286
(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
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2-methyloxirane;N-phenylaniline
CID 174992525

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine (CID 178189631) is 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine is FC1CNC(Nc2ccccc2)N=C1Nc1ccccc1.
What is the InChIKey of 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine?
The InChIKey is FGFPLVGYMBOJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c17-14-11-18-16(20-13-9-5-2-6-10-13)21-15(14)19-12-7-3-1-4-8-12/h1-10,14,16,18,20H,11H2,(H,19,21).
What are the key properties of 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine has a molecular weight of 284.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-diphenyl-1,2,5,6-tetrahydropyrimidine-2,4-diamine is sourced from PubChem (CID 178189631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).