2-methyl-4-(pentylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 136955955

IUPAC2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O/c1-3-4-5-6-11-9-7-10(14)13-8(2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyKOEROKQIKXCUCY-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.68
Rot. Bonds5

About 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one

2-methyl-4-(pentylamino)-1H-pyrimidin-6-one (PubChem CID 136955955) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
PubChem CID136955955
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-4-(pentylamino)-1H-pyrimidin-6-one
SMILESCCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C10H17N3O/c1-3-4-5-6-11-9-7-10(14)13-8(2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyKOEROKQIKXCUCY-UHFFFAOYSA-N
XLogP1.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.68
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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Related Compounds

4-(hexylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956727
2-methyl-4-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 136957022
4-(3-hydroxypropylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956028
2-methyl-4-(3-propoxypropylamino)-1H-pyrimidin-6-one
CID 136957026
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
4-(3-aminopentylamino)-2-methyl-1H-pyrimidin-6-one
CID 137008779
2-methyl-4-[3-[methyl(propan-2-yl)amino]propylamino]-1H-pyrimidin-6-one
CID 137000544
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
N-[2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956102
4-(2-cyclopropylethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956867
2-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 137015526

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one (CID 136955955) is 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one is CCCCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one?
The InChIKey is KOEROKQIKXCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-5-6-11-9-7-10(14)13-8(2)12-9/h7H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one?
2-methyl-4-(pentylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).