2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C18H31N3 — CID 65391131

IUPAC2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(C2CCC(CC)CC2)n1
InChIInChI=1S/C18H31N3/c1-5-11-19-17-12-16(13(3)4)20-18(21-17)15-9-7-14(6-2)8-10-15/h12-15H,5-11H2,1-4H3,(H,19,20,21)
InChIKeyIUWJCVBDMVESAJ-UHFFFAOYSA-N
MW289.47 g/mol
LogP5.11
Rot. Bonds6

About 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine

2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 65391131) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID65391131
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)C)nc(C2CCC(CC)CC2)n1
InChIInChI=1S/C18H31N3/c1-5-11-19-17-12-16(13(3)4)20-18(21-17)15-9-7-14(6-2)8-10-15/h12-15H,5-11H2,1-4H3,(H,19,20,21)
InChIKeyIUWJCVBDMVESAJ-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.47
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 65391131) is 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)C)nc(C2CCC(CC)CC2)n1.
What is the InChIKey of 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is IUWJCVBDMVESAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-11-19-17-12-16(13(3)4)20-18(21-17)15-9-7-14(6-2)8-10-15/h12-15H,5-11H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 289.47 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylcyclohexyl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65391131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).