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

C8H13N3O — CID 135854961

IUPAC4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(C)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-3-4-6-7(9)10-5(2)11-8(6)12/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyBJQUSXNOSUWNPN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.61
Rot. Bonds2

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

4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one (PubChem CID 135854961) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one
PubChem CID135854961
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(N)nc(C)[nH]c1=O
InChIInChI=1S/C8H13N3O/c1-3-4-6-7(9)10-5(2)11-8(6)12/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyBJQUSXNOSUWNPN-UHFFFAOYSA-N
XLogP0.61
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one (CID 135854961) is 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one is CCCc1c(N)nc(C)[nH]c1=O.
What is the InChIKey of 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one?
The InChIKey is BJQUSXNOSUWNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-6-7(9)10-5(2)11-8(6)12/h3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one?
4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135854961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).