4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one

C11H19N3O — CID 136852206

IUPAC4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
SMILESCC(C)C(C)(C)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O/c1-8(2)11(3,4)6-12-9-5-10(15)14-7-13-9/h5,7-8H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyYRDFJIXJCNRULF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds4

About 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one

4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one (PubChem CID 136852206) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
PubChem CID136852206
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
SMILESCC(C)C(C)(C)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C11H19N3O/c1-8(2)11(3,4)6-12-9-5-10(15)14-7-13-9/h5,7-8H,6H2,1-4H3,(H2,12,13,14,15)
InChIKeyYRDFJIXJCNRULF-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-(3,4-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136454963
4-(3,3-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136462243
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-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
4-[methyl(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136957461
6-[(Cyclopropylmethyl)amino]-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160406
2-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135474189

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one (CID 136852206) is 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one is CC(C)C(C)(C)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is YRDFJIXJCNRULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)11(3,4)6-12-9-5-10(15)14-7-13-9/h5,7-8H,6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one?
4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).