4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine

C14H17FN4 — CID 80852541

IUPAC4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(NC(C)c2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-9-4-5-11(8-12(9)15)10(2)18-13-6-7-17-14(16-3)19-13/h4-8,10H,1-3H3,(H2,16,17,18,19)
InChIKeyNQYNPMJBFOLYBT-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.14
Rot. Bonds4

About 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine

4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80852541) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
PubChem CID80852541
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(NC(C)c2ccc(C)c(F)c2)n1
InChIInChI=1S/C14H17FN4/c1-9-4-5-11(8-12(9)15)10(2)18-13-6-7-17-14(16-3)19-13/h4-8,10H,1-3H3,(H2,16,17,18,19)
InChIKeyNQYNPMJBFOLYBT-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 80838128
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114448724
2,3,5,6-tetrafluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 107643680
5,6-diethyl-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362742
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
N-[1-(3-fluoro-4-methylphenyl)ethyl]-1-prop-2-enylimidazol-2-amine
CID 106576833
6-N-ethyl-4-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 80839673
5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydrazinylpyrimidin-4-amine
CID 80926777
4-N-[1-(4-chlorophenyl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80801489
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
2-N-methyl-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 80804129

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine (CID 80852541) is 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(NC(C)c2ccc(C)c(F)c2)n1.
What is the InChIKey of 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is NQYNPMJBFOLYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-9-4-5-11(8-12(9)15)10(2)18-13-6-7-17-14(16-3)19-13/h4-8,10H,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine?
4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 260.32 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80852541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).