2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine

C16H27N3 — CID 65390530

IUPAC2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(C2CCC(CC)CC2)n1
InChIInChI=1S/C16H27N3/c1-4-6-14-11-15(17-3)19-16(18-14)13-9-7-12(5-2)8-10-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyKKXKBWNEZLLAOR-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.15
Rot. Bonds5

About 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine

2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 65390530) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID65390530
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(C2CCC(CC)CC2)n1
InChIInChI=1S/C16H27N3/c1-4-6-14-11-15(17-3)19-16(18-14)13-9-7-12(5-2)8-10-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyKKXKBWNEZLLAOR-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine (CID 65390530) is 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(C2CCC(CC)CC2)n1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is KKXKBWNEZLLAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-6-14-11-15(17-3)19-16(18-14)13-9-7-12(5-2)8-10-13/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine?
2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 65390530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).