3-methyl-6-(propan-2-ylamino)pyrimidin-4-one

C8H13N3O — CID 169237700

IUPAC3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
SMILESCC(C)Nc1cc(=O)n(C)cn1
InChIInChI=1S/C8H13N3O/c1-6(2)10-7-4-8(12)11(3)5-9-7/h4-6,10H,1-3H3
InChIKeyWGGQYCRPPXSRIR-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.60
Rot. Bonds2

About 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one

3-methyl-6-(propan-2-ylamino)pyrimidin-4-one (PubChem CID 169237700) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
PubChem CID169237700
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
SMILESCC(C)Nc1cc(=O)n(C)cn1
InChIInChI=1S/C8H13N3O/c1-6(2)10-7-4-8(12)11(3)5-9-7/h4-6,10H,1-3H3
InChIKeyWGGQYCRPPXSRIR-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one?
The IUPAC name of 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one (CID 169237700) is 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one is CC(C)Nc1cc(=O)n(C)cn1.
What is the InChIKey of 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one?
The InChIKey is WGGQYCRPPXSRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)10-7-4-8(12)11(3)5-9-7/h4-6,10H,1-3H3.
What are the key properties of 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one?
3-methyl-6-(propan-2-ylamino)pyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(propan-2-ylamino)pyrimidin-4-one is sourced from PubChem (CID 169237700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).