1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one

C15H23N5O2 — CID 118549624

IUPAC1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(C)cc(NC3COC3)n2)CC1
InChIInChI=1S/C15H23N5O2/c1-3-14(21)19-4-6-20(7-5-19)15-16-11(2)8-13(18-15)17-12-9-22-10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyJLCRIQHEOZSUAF-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.65
Rot. Bonds4

About 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one

1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 118549624) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID118549624
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(C)cc(NC3COC3)n2)CC1
InChIInChI=1S/C15H23N5O2/c1-3-14(21)19-4-6-20(7-5-19)15-16-11(2)8-13(18-15)17-12-9-22-10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,17,18)
InChIKeyJLCRIQHEOZSUAF-UHFFFAOYSA-N
XLogP0.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[4-tert-butyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118546942
1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 144655538
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549633
2-(azetidin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90245533
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylic acid
CID 162458584
methyl 2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
CID 162458558
3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 121031730
methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
CID 162458199
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 122346111
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
1-[4-[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915036

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (CID 118549624) is 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nc(C)cc(NC3COC3)n2)CC1.
What is the InChIKey of 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is JLCRIQHEOZSUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-3-14(21)19-4-6-20(7-5-19)15-16-11(2)8-13(18-15)17-12-9-22-10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 305.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 118549624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).