4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine

C15H19FN4 — CID 80852310

IUPAC4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C15H19FN4/c1-9-8-13(16)5-4-12(9)6-7-18-15-10(2)14(17)19-11(3)20-15/h4-5,8H,6-7H2,1-3H3,(H3,17,18,19,20)
InChIKeyCPDRCPIOKLGRKI-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.78
Rot. Bonds4

About 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine

4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80852310) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80852310
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCCc2ccc(F)cc2C)n1
InChIInChI=1S/C15H19FN4/c1-9-8-13(16)5-4-12(9)6-7-18-15-10(2)14(17)19-11(3)20-15/h4-5,8H,6-7H2,1-3H3,(H3,17,18,19,20)
InChIKeyCPDRCPIOKLGRKI-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017
N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80926608
3,5-dichloro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102762299
3-bromo-2-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylpyridine-2,5-diamine
CID 104507040
4-N-[(4-fluorophenyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80777941
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852616
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80944222
4-N-(4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80761015
4-cyclopropyl-5-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364521
5,6-diethyl-N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,2,4-triazin-3-amine
CID 105362741
N-[2-(4-fluoro-2-methylphenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686591

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine (CID 80852310) is 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NCCc2ccc(F)cc2C)n1.
What is the InChIKey of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is CPDRCPIOKLGRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-9-8-13(16)5-4-12(9)6-7-18-15-10(2)14(17)19-11(3)20-15/h4-5,8H,6-7H2,1-3H3,(H3,17,18,19,20).
What are the key properties of 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine?
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80852310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).