6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one

C13H23N3O — CID 18719748

IUPAC6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one
SMILESCc1c(N(C(C)C)C(C)C)nc(C)n(C)c1=O
InChIInChI=1S/C13H23N3O/c1-8(2)16(9(3)4)12-10(5)13(17)15(7)11(6)14-12/h8-9H,1-7H3
InChIKeyAYIUXQBOFNSSQX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.02
Rot. Bonds3

About 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one

6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one (PubChem CID 18719748) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one
PubChem CID18719748
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one
SMILESCc1c(N(C(C)C)C(C)C)nc(C)n(C)c1=O
InChIInChI=1S/C13H23N3O/c1-8(2)16(9(3)4)12-10(5)13(17)15(7)11(6)14-12/h8-9H,1-7H3
InChIKeyAYIUXQBOFNSSQX-UHFFFAOYSA-N
XLogP2.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-Tetramethylpyrimidin-4-one
CID 13149275
6-chloro-2,5-dimethyl-3-ethyl-4(3H)-pyrimidinone
CID 15058927
3-Ethyl-2,5-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334352
6-(Ethylamino)-2,3,5-trimethylpyrimidin-4-one
CID 18334378
3-Ethyl-2,5,6-trimethylpyrimidin-4-one
CID 22091870
2,3,5,6-Tetramethyl-1-propan-2-ylpyrimidin-1-ium-4-one
CID 59338933
2,5,6-Trimethyl-3-propan-2-ylpyrimidin-4-one
CID 59463795
3-[2-(Dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one
CID 129127184
4-[di(propan-2-yl)amino]-2,5-dimethyl-1H-pyrimidin-6-one
CID 136023885
2-Ethyl-5,6-dimethyl-3-propylpyrimidin-4-one
CID 141792048
2,3-Diethyl-5,6-dimethylpyrimidin-4-one;ethane
CID 141792053
Ethane;2,3,5,6-tetramethylpyrimidin-4-one
CID 143247986

Frequently Asked Questions

What is the IUPAC name of 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one?
The IUPAC name of 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one (CID 18719748) is 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one.
What is the SMILES notation for 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one?
The canonical SMILES for 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one is Cc1c(N(C(C)C)C(C)C)nc(C)n(C)c1=O.
What is the InChIKey of 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one?
The InChIKey is AYIUXQBOFNSSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)16(9(3)4)12-10(5)13(17)15(7)11(6)14-12/h8-9H,1-7H3.
What are the key properties of 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one?
6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[di(propan-2-yl)amino]-2,3,5-trimethylpyrimidin-4-one is sourced from PubChem (CID 18719748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).