4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one

C13H23N3O — CID 18719745

IUPAC4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one
SMILESCc1c(N(C(C)C)C(C)C)nc(=O)n(C)c1C
InChIInChI=1S/C13H23N3O/c1-8(2)16(9(3)4)12-10(5)11(6)15(7)13(17)14-12/h8-9H,1-7H3
InChIKeyOJHFOZXHQKMWMZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.02
Rot. Bonds3

About 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one

4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one (PubChem CID 18719745) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one.

Molecular Properties

Compound Name4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one
PubChem CID18719745
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one
SMILESCc1c(N(C(C)C)C(C)C)nc(=O)n(C)c1C
InChIInChI=1S/C13H23N3O/c1-8(2)16(9(3)4)12-10(5)11(6)15(7)13(17)14-12/h8-9H,1-7H3
InChIKeyOJHFOZXHQKMWMZ-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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Frequently Asked Questions

What is the IUPAC name of 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one?
The IUPAC name of 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one (CID 18719745) is 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one.
What is the SMILES notation for 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one?
The canonical SMILES for 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one is Cc1c(N(C(C)C)C(C)C)nc(=O)n(C)c1C.
What is the InChIKey of 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one?
The InChIKey is OJHFOZXHQKMWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)16(9(3)4)12-10(5)11(6)15(7)13(17)14-12/h8-9H,1-7H3.
What are the key properties of 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one?
4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-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 4-[di(propan-2-yl)amino]-1,5,6-trimethylpyrimidin-2-one is sourced from PubChem (CID 18719745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).