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

C10H17N3O — CID 135854960

IUPAC4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1c(N)nc(C)[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-3-4-5-6-8-9(11)12-7(2)13-10(8)14/h3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyKEFKNRXOLRNLKI-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.39
Rot. Bonds4

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

4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one (PubChem CID 135854960) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one
PubChem CID135854960
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one
SMILESCCCCCc1c(N)nc(C)[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-3-4-5-6-8-9(11)12-7(2)13-10(8)14/h3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyKEFKNRXOLRNLKI-UHFFFAOYSA-N
XLogP1.39
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one (CID 135854960) is 4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one is CCCCCc1c(N)nc(C)[nH]c1=O.
What is the InChIKey of 4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one?
The InChIKey is KEFKNRXOLRNLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-5-6-8-9(11)12-7(2)13-10(8)14/h3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one?
4-amino-2-methyl-5-pentyl-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.39, 4 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-pentyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135854960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).