4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine

C12H15FN4 — CID 67887978

IUPAC4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine
SMILESCC1=C(N)C(N)(Cc2ccc(F)cc2)N=CN1
InChIInChI=1S/C12H15FN4/c1-8-11(14)12(15,17-7-16-8)6-9-2-4-10(13)5-3-9/h2-5,7H,6,14-15H2,1H3,(H,16,17)
InChIKeyHNZMZAOEPWYSEN-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.84
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine

4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine (PubChem CID 67887978) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine
PubChem CID67887978
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine
SMILESCC1=C(N)C(N)(Cc2ccc(F)cc2)N=CN1
InChIInChI=1S/C12H15FN4/c1-8-11(14)12(15,17-7-16-8)6-9-2-4-10(13)5-3-9/h2-5,7H,6,14-15H2,1H3,(H,16,17)
InChIKeyHNZMZAOEPWYSEN-UHFFFAOYSA-N
XLogP0.84
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 1,4,5,6-tetrahydro-5-(2-fluorophenyl)-, monohydrochloride
CID 3087475
1-Cyano-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 168275295
5-(2-Fluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 3087476
4-[(4-fluorophenyl)methyl]-1H-pyrimidine-4,5-diamine
CID 67887922
4-(4-fluoro-3-methylphenyl)-1H-pyrimidine-2,4-diamine
CID 68587252
4-(4-fluorophenyl)-1H-pyrimidine-2,4-diamine
CID 68987500
4-(2,3,4-trifluorophenyl)-1H-pyrimidine-4,6-diamine
CID 70012858
5-(4-Fluorophenyl)-4-methyl-1,4-dihydropyrimidine
CID 89750369
4-Tert-butyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine
CID 117837472
6-(2,4-difluorophenyl)-4-N-methyl-1,4-dihydropyrimidine-2,4-diamine
CID 118567818
2-butyl-1-[(Z)-2,3-diamino-3-(4-fluorophenyl)prop-1-enyl]guanidine
CID 126595659
4-Ethyl-5-(4-fluorophenyl)-1,4-dihydropyrimidine
CID 137444906

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine (CID 67887978) is 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine is CC1=C(N)C(N)(Cc2ccc(F)cc2)N=CN1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine?
The InChIKey is HNZMZAOEPWYSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-8-11(14)12(15,17-7-16-8)6-9-2-4-10(13)5-3-9/h2-5,7H,6,14-15H2,1H3,(H,16,17).
What are the key properties of 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine?
4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine has a molecular weight of 234.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4,5-diamine is sourced from PubChem (CID 67887978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).