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

C9H15N3O — CID 135818517

IUPAC4-(butylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H15N3O/c1-3-4-5-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyLKDYHOIQFZUIAV-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.29
Rot. Bonds4

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

4-(butylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 135818517) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(butylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(butylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID135818517
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(butylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H15N3O/c1-3-4-5-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyLKDYHOIQFZUIAV-UHFFFAOYSA-N
XLogP1.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.29
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

2-methyl-4-(propylamino)-5-sulfanyl-1H-pyrimidin-6-one
CID 135958466
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
2-Methyl-6-(methylamino)-4-pyrimidinol
CID 135577483
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802785
2-methyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819404
2-ethyl-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819414
2-methyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955982
2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956608
4-(2,2-difluoroethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136957012
2-methyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957049

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(butylamino)-2-methyl-1H-pyrimidin-6-one (CID 135818517) is 4-(butylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(butylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(butylamino)-2-methyl-1H-pyrimidin-6-one is CCCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(butylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LKDYHOIQFZUIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-5-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(butylamino)-2-methyl-1H-pyrimidin-6-one?
4-(butylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135818517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).