N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine

C14H22FN3 — CID 114045628

IUPACN-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC2CC(C)CC(C)C2)c1F
InChIInChI=1S/C14H22FN3/c1-4-12-13(15)14(17-8-16-12)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyBGGQRERIBOAPBX-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.41
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine

N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 114045628) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID114045628
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC NameN-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NC2CC(C)CC(C)C2)c1F
InChIInChI=1S/C14H22FN3/c1-4-12-13(15)14(17-8-16-12)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyBGGQRERIBOAPBX-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine (CID 114045628) is N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NC2CC(C)CC(C)C2)c1F.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is BGGQRERIBOAPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-4-12-13(15)14(17-8-16-12)18-11-6-9(2)5-10(3)7-11/h8-11H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine?
N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 251.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 114045628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).