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

C8H14N4O — CID 135927913

IUPAC4-amino-2-(butylamino)-1H-pyrimidin-6-one
SMILESCCCCNc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H14N4O/c1-2-3-4-10-8-11-6(9)5-7(13)12-8/h5H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeyJUGRUTFHYUNVIW-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.56
Rot. Bonds4

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

4-amino-2-(butylamino)-1H-pyrimidin-6-one (PubChem CID 135927913) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-2-(butylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(butylamino)-1H-pyrimidin-6-one
PubChem CID135927913
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-2-(butylamino)-1H-pyrimidin-6-one
SMILESCCCCNc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C8H14N4O/c1-2-3-4-10-8-11-6(9)5-7(13)12-8/h5H,2-4H2,1H3,(H4,9,10,11,12,13)
InChIKeyJUGRUTFHYUNVIW-UHFFFAOYSA-N
XLogP0.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
2-Amino-4-cyclopropylamino-6-hydroxypyrimidine
CID 135509791
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
2-amino-6-(cyclopentylamino)-1H-pyrimidin-4-one
CID 135408692
4-Amino-2-dimethylamino-6-hydroxypyrimidine
CID 135431314
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
2-(Methylamino)-3,4-dihydropyrimidin-4-one
CID 14803475
2-Butylamino-5-fluoro-3-methylpyrimidin-4(3h)-one
CID 129744055
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
N-Butyl-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
CID 135587710
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(butylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(butylamino)-1H-pyrimidin-6-one (CID 135927913) is 4-amino-2-(butylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(butylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(butylamino)-1H-pyrimidin-6-one is CCCCNc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-(butylamino)-1H-pyrimidin-6-one?
The InChIKey is JUGRUTFHYUNVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-3-4-10-8-11-6(9)5-7(13)12-8/h5H,2-4H2,1H3,(H4,9,10,11,12,13).
What are the key properties of 4-amino-2-(butylamino)-1H-pyrimidin-6-one?
4-amino-2-(butylamino)-1H-pyrimidin-6-one has a molecular weight of 182.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(butylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135927913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).