4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one

C10H17N3O — CID 136768846

IUPAC4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O/c1-4-10(2,3)6-11-8-5-9(14)13-7-12-8/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyMHLXPBPEHNORSI-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.62
Rot. Bonds4

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

4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one (PubChem CID 136768846) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
PubChem CID136768846
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
SMILESCCC(C)(C)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C10H17N3O/c1-4-10(2,3)6-11-8-5-9(14)13-7-12-8/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyMHLXPBPEHNORSI-UHFFFAOYSA-N
XLogP1.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
6-[(2,2-Difluorobutyl)amino]-3,4-dihydropyrimidin-4-one
CID 164654754
4-(propylamino)-1H-pyrimidin-6-one
CID 136291322
4-(octylamino)-1H-pyrimidin-6-one
CID 136333761
4-[butan-2-yl(ethyl)amino]-1H-pyrimidin-6-one
CID 136449958
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one (CID 136768846) is 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one is CCC(C)(C)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
The InChIKey is MHLXPBPEHNORSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-10(2,3)6-11-8-5-9(14)13-7-12-8/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one?
4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136768846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).