5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine

C14H23FN4 — CID 80835356

IUPAC5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCCC2CCC(C)CC2)n1
InChIInChI=1S/C14H23FN4/c1-10-3-5-11(6-4-10)7-8-17-13-12(15)9-18-14(16-2)19-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyXUFJWARQCANBGM-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.29
Rot. Bonds5

About 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80835356) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80835356
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCCC2CCC(C)CC2)n1
InChIInChI=1S/C14H23FN4/c1-10-3-5-11(6-4-10)7-8-17-13-12(15)9-18-14(16-2)19-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyXUFJWARQCANBGM-UHFFFAOYSA-N
XLogP3.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine (CID 80835356) is 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(NCCC2CCC(C)CC2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is XUFJWARQCANBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-10-3-5-11(6-4-10)7-8-17-13-12(15)9-18-14(16-2)19-13/h9-11H,3-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80835356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).