2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one

C9H15N3O — CID 151852895

IUPAC2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(N)[nH]c(=O)c1CC
InChIInChI=1S/C9H15N3O/c1-3-5-7-6(4-2)8(13)12-9(10)11-7/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeySJBRXUQQKFLOHO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds3

About 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one

2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one (PubChem CID 151852895) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one
PubChem CID151852895
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(N)[nH]c(=O)c1CC
InChIInChI=1S/C9H15N3O/c1-3-5-7-6(4-2)8(13)12-9(10)11-7/h3-5H2,1-2H3,(H3,10,11,12,13)
InChIKeySJBRXUQQKFLOHO-UHFFFAOYSA-N
XLogP0.87
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one (CID 151852895) is 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one is CCCc1nc(N)[nH]c(=O)c1CC.
What is the InChIKey of 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one?
The InChIKey is SJBRXUQQKFLOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-5-7-6(4-2)8(13)12-9(10)11-7/h3-5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one?
2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 151852895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).