4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

C15H25FN4 — CID 80840858

IUPAC4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C15H25FN4/c1-4-5-17-15-18-9-13(16)14(20-15)19-12-7-10(2)6-11(3)8-12/h9-12H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyXSKCHXFXJAVGSO-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.67
Rot. Bonds5

About 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine

4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80840858) has the molecular formula C15H25FN4 and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80840858
Molecular FormulaC15H25FN4
Molecular Weight280.39 g/mol
Exact Mass280.21
IUPAC Name4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C15H25FN4/c1-4-5-17-15-18-9-13(16)14(20-15)19-12-7-10(2)6-11(3)8-12/h9-12H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyXSKCHXFXJAVGSO-UHFFFAOYSA-N
XLogP3.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80840858) is 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC2CC(C)CC(C)C2)n1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is XSKCHXFXJAVGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4/c1-4-5-17-15-18-9-13(16)14(20-15)19-12-7-10(2)6-11(3)8-12/h9-12H,4-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 280.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80840858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).