6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine

C15H25N3O — CID 66329019

IUPAC6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCC2CCCC(C)C2)ncn1
InChIInChI=1S/C15H25N3O/c1-3-19-15-10-14(17-11-18-15)16-8-7-13-6-4-5-12(2)9-13/h10-13H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyOPDPJADGEJQIRI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds6

About 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine

6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine (PubChem CID 66329019) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
PubChem CID66329019
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine
SMILESCCOc1cc(NCCC2CCCC(C)C2)ncn1
InChIInChI=1S/C15H25N3O/c1-3-19-15-10-14(17-11-18-15)16-8-7-13-6-4-5-12(2)9-13/h10-13H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyOPDPJADGEJQIRI-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine (CID 66329019) is 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine is CCOc1cc(NCCC2CCCC(C)C2)ncn1.
What is the InChIKey of 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine?
The InChIKey is OPDPJADGEJQIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-19-15-10-14(17-11-18-15)16-8-7-13-6-4-5-12(2)9-13/h10-13H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine?
6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 66329019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).