4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine

C13H16FN5 — CID 80852360

IUPAC4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine
SMILESCc1cc(CNc2cc(N)nc(N)n2)cc(C)c1F
InChIInChI=1S/C13H16FN5/c1-7-3-9(4-8(2)12(7)14)6-17-11-5-10(15)18-13(16)19-11/h3-5H,6H2,1-2H3,(H5,15,16,17,18,19)
InChIKeyRKBSAEJISUSFFM-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.01
Rot. Bonds3

About 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine

4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80852360) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80852360
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine
SMILESCc1cc(CNc2cc(N)nc(N)n2)cc(C)c1F
InChIInChI=1S/C13H16FN5/c1-7-3-9(4-8(2)12(7)14)6-17-11-5-10(15)18-13(16)19-11/h3-5H,6H2,1-2H3,(H5,15,16,17,18,19)
InChIKeyRKBSAEJISUSFFM-UHFFFAOYSA-N
XLogP2.01
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80852205
4-N-[(3,4-difluorophenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80805632
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 91784508
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80849672
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-[(4-chlorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765688
4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
CID 80766455
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80943551
4-N-[(3,4-difluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80954744

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine (CID 80852360) is 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine is Cc1cc(CNc2cc(N)nc(N)n2)cc(C)c1F.
What is the InChIKey of 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is RKBSAEJISUSFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-7-3-9(4-8(2)12(7)14)6-17-11-5-10(15)18-13(16)19-11/h3-5H,6H2,1-2H3,(H5,15,16,17,18,19).
What are the key properties of 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine?
4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 261.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluoro-3,5-dimethylphenyl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80852360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).