4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one

C15H25N3O2 — CID 136960446

IUPAC4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(C2(OCC)CCCCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O2/c1-3-8-11-12(16)17-14(18-13(11)19)15(20-4-2)9-6-5-7-10-15/h3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyINHXTZDXSNJAMU-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.50
Rot. Bonds5

About 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one

4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 136960446) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID136960446
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(C2(OCC)CCCCC2)[nH]c1=O
InChIInChI=1S/C15H25N3O2/c1-3-8-11-12(16)17-14(18-13(11)19)15(20-4-2)9-6-5-7-10-15/h3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyINHXTZDXSNJAMU-UHFFFAOYSA-N
XLogP2.50
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one (CID 136960446) is 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(N)nc(C2(OCC)CCCCC2)[nH]c1=O.
What is the InChIKey of 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is INHXTZDXSNJAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-8-11-12(16)17-14(18-13(11)19)15(20-4-2)9-6-5-7-10-15/h3-10H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one?
4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-ethoxycyclohexyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136960446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).