2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C12H16N4O2 — CID 136771714

IUPAC2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(-c2cnn(C)c2)cc(=O)[nH]1
InChIInChI=1S/C12H16N4O2/c1-8(18-3)4-11-14-10(5-12(17)15-11)9-6-13-16(2)7-9/h5-8H,4H2,1-3H3,(H,14,15,17)
InChIKeyYZKPYIRMJMKYLY-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.75
Rot. Bonds4

About 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136771714) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136771714
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(-c2cnn(C)c2)cc(=O)[nH]1
InChIInChI=1S/C12H16N4O2/c1-8(18-3)4-11-14-10(5-12(17)15-11)9-6-13-16(2)7-9/h5-8H,4H2,1-3H3,(H,14,15,17)
InChIKeyYZKPYIRMJMKYLY-UHFFFAOYSA-N
XLogP0.75
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136964506
2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980824
4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730191
2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771794
2-(cyclopentylsulfanylmethyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771723
4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one
CID 136771755
4-(1-methylpyrazol-4-yl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidin-6-one
CID 136771679
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
2-(3-aminopentan-3-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771918
2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980837
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798
2-propyl-4-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136692313

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136771714) is 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is COC(C)Cc1nc(-c2cnn(C)c2)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is YZKPYIRMJMKYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(18-3)4-11-14-10(5-12(17)15-11)9-6-13-16(2)7-9/h5-8H,4H2,1-3H3,(H,14,15,17).
What are the key properties of 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 248.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136771714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).