4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

C9H15N3O2 — CID 136955939

IUPAC4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H15N3O2/c1-6(5-14-3)10-8-4-9(13)12-7(2)11-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyMEPDVIKCHYSOIZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.53
Rot. Bonds4

About 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136955939) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136955939
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCOCC(C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H15N3O2/c1-6(5-14-3)10-8-4-9(13)12-7(2)11-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13)
InChIKeyMEPDVIKCHYSOIZ-UHFFFAOYSA-N
XLogP0.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136896828
4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956679
2-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975762
4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167804464
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
4-[2-(dimethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241381
4-[2-(diethylamino)ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241417
4-[2-[di(propan-2-yl)amino]ethoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241879
4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241880
2-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604868
2-ethyl-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586298

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136955939) is 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is COCC(C)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is MEPDVIKCHYSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(5-14-3)10-8-4-9(13)12-7(2)11-8/h4,6H,5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).