2-(butylamino)-5-methyl-1H-pyrimidin-6-one

C9H15N3O — CID 163905998

IUPAC2-(butylamino)-5-methyl-1H-pyrimidin-6-one
SMILESCCCCNc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-3-4-5-10-9-11-6-7(2)8(13)12-9/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyQNYSIVGZCQFSSG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.29
Rot. Bonds4

About 2-(butylamino)-5-methyl-1H-pyrimidin-6-one

2-(butylamino)-5-methyl-1H-pyrimidin-6-one (PubChem CID 163905998) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-(butylamino)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(butylamino)-5-methyl-1H-pyrimidin-6-one
PubChem CID163905998
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-(butylamino)-5-methyl-1H-pyrimidin-6-one
SMILESCCCCNc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-3-4-5-10-9-11-6-7(2)8(13)12-9/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyQNYSIVGZCQFSSG-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

5-Methylisocytosine
CID 85221
2-(Diethylamino)-5-methylpyrimidin-4-ol
CID 602372
2-Butylamino-5-fluoro-1-methylpyrimidin-4 (1h)-one
CID 21577894
2-Butylamino-5-fluoro-3-methylpyrimidin-4(3h)-one
CID 129744055
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
2-[(Dimethylamino)methyleneamino]-5-methylpyrimidin-4-one
CID 100976562
4(1H)-Pyrimidinone, 2-amino-5-ethyl-
CID 147274
6-fluoro-3,7-dimethyl-9H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 122545063
2-(Ethylamino)-5,6-dimethyl-4(3H)-pyrimidinone
CID 135581387
7-Methyl-8-oxo-1,2,3,4-tetrahydro-8H-pyrimido[1,2-a]pyrimidine
CID 596797
2-Butylamino-3-methylpyrimidin-4-one
CID 21602095
5-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 80867109

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(butylamino)-5-methyl-1H-pyrimidin-6-one (CID 163905998) is 2-(butylamino)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(butylamino)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(butylamino)-5-methyl-1H-pyrimidin-6-one is CCCCNc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 2-(butylamino)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is QNYSIVGZCQFSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-4-5-10-9-11-6-7(2)8(13)12-9/h6H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-(butylamino)-5-methyl-1H-pyrimidin-6-one?
2-(butylamino)-5-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 2-(butylamino)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 163905998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).