4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one

C9H15N3O2 — CID 136957727

IUPAC4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC(C)O)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-6(13)5-12(3)8-4-9(14)11-7(2)10-8/h4,6,13H,5H2,1-3H3,(H,10,11,14)
InChIKeyMTCAYTMRWNXUQF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.10
Rot. Bonds3

About 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957727) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957727
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N(C)CC(C)O)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O2/c1-6(13)5-12(3)8-4-9(14)11-7(2)10-8/h4,6,13H,5H2,1-3H3,(H,10,11,14)
InChIKeyMTCAYTMRWNXUQF-UHFFFAOYSA-N
XLogP-0.10
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136957727) is 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(N(C)CC(C)O)cc(=O)[nH]1.
What is the InChIKey of 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MTCAYTMRWNXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(13)5-12(3)8-4-9(14)11-7(2)10-8/h4,6,13H,5H2,1-3H3,(H,10,11,14).
What are the key properties of 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxypropyl(methyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).