6-(2-methylbutylamino)-1H-pyrimidin-2-one

C9H15N3O — CID 580148

IUPAC6-(2-methylbutylamino)-1H-pyrimidin-2-one
SMILESCCC(C)CNc1ccnc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-3-7(2)6-11-8-4-5-10-9(13)12-8/h4-5,7H,3,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyKXBHEZIEKJDPGN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.23
Rot. Bonds4

About 6-(2-methylbutylamino)-1H-pyrimidin-2-one

6-(2-methylbutylamino)-1H-pyrimidin-2-one (PubChem CID 580148) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-(2-methylbutylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methylbutylamino)-1H-pyrimidin-2-one
PubChem CID580148
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-(2-methylbutylamino)-1H-pyrimidin-2-one
SMILESCCC(C)CNc1ccnc(=O)[nH]1
InChIInChI=1S/C9H15N3O/c1-3-7(2)6-11-8-4-5-10-9(13)12-8/h4-5,7H,3,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyKXBHEZIEKJDPGN-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methylbutylamino)-1H-pyrimidin-2-one (CID 580148) is 6-(2-methylbutylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methylbutylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methylbutylamino)-1H-pyrimidin-2-one is CCC(C)CNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(2-methylbutylamino)-1H-pyrimidin-2-one?
The InChIKey is KXBHEZIEKJDPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-3-7(2)6-11-8-4-5-10-9(13)12-8/h4-5,7H,3,6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 6-(2-methylbutylamino)-1H-pyrimidin-2-one?
6-(2-methylbutylamino)-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 580148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).