4-(4-methylpentylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 136956261

IUPAC4-(4-methylpentylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O/c1-8(2)4-3-5-11-9-6-10(14)13-7-12-9/h6-8H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyFVOMPTFCYFAFEJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.62
Rot. Bonds5

About 4-(4-methylpentylamino)-1H-pyrimidin-6-one

4-(4-methylpentylamino)-1H-pyrimidin-6-one (PubChem CID 136956261) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(4-methylpentylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylpentylamino)-1H-pyrimidin-6-one
PubChem CID136956261
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(4-methylpentylamino)-1H-pyrimidin-6-one
SMILESCC(C)CCCNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O/c1-8(2)4-3-5-11-9-6-10(14)13-7-12-9/h6-8H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyFVOMPTFCYFAFEJ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-(2,6-dimethylazepan-1-yl)-1H-pyrimidin-6-one
CID 136382786
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
2-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 156186409
2-(5-methylhexylamino)-1H-pyrimidin-6-one
CID 167675672

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpentylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylpentylamino)-1H-pyrimidin-6-one (CID 136956261) is 4-(4-methylpentylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylpentylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylpentylamino)-1H-pyrimidin-6-one is CC(C)CCCNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(4-methylpentylamino)-1H-pyrimidin-6-one?
The InChIKey is FVOMPTFCYFAFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)4-3-5-11-9-6-10(14)13-7-12-9/h6-8H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-(4-methylpentylamino)-1H-pyrimidin-6-one?
4-(4-methylpentylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpentylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).