2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one

C10H17N3O — CID 137259026

IUPAC2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCCCNc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-4-5-6-11-10-12-8(3)7(2)9(14)13-10/h4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyRZCYQFLDEQBUJB-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.60
Rot. Bonds4

About 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one

2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137259026) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137259026
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCCCNc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C10H17N3O/c1-4-5-6-11-10-12-8(3)7(2)9(14)13-10/h4-6H2,1-3H3,(H2,11,12,13,14)
InChIKeyRZCYQFLDEQBUJB-UHFFFAOYSA-N
XLogP1.60
TPSA57.78 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 ≤ 51.60
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 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one (CID 137259026) is 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one is CCCCNc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is RZCYQFLDEQBUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-5-6-11-10-12-8(3)7(2)9(14)13-10/h4-6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137259026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).