4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

C14H17FN4 — CID 80760533

IUPAC4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cccc(F)c2)c1C
InChIInChI=1S/C14H17FN4/c1-3-7-16-13-10(2)14(18-9-17-13)19-12-6-4-5-11(15)8-12/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyUQVSKPKKSCOBDT-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.49
Rot. Bonds5

About 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80760533) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80760533
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(Nc2cccc(F)c2)c1C
InChIInChI=1S/C14H17FN4/c1-3-7-16-13-10(2)14(18-9-17-13)19-12-6-4-5-11(15)8-12/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyUQVSKPKKSCOBDT-UHFFFAOYSA-N
XLogP3.49
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80761354
4-N-[1-(3-fluorophenyl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783043
4-N-(3-fluorophenyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80818099
4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80776616
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
5-ethyl-4-N-(3-fluoro-5-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80834573
N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924757
4-N-(3-bromophenyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80760427
6-N-ethyl-4-N-(4-fluoro-3-methylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80824692
N-(3-fluorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 769518
2-(3-fluoroanilino)-4-(propylamino)pyrimidine-5-carbonyl chloride
CID 90052201
4-N-(3-fluorophenyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323565

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80760533) is 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(Nc2cccc(F)c2)c1C.
What is the InChIKey of 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is UQVSKPKKSCOBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-7-16-13-10(2)14(18-9-17-13)19-12-6-4-5-11(15)8-12/h4-6,8-9H,3,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 260.32 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80760533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).