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

C14H21N5O2 — CID 144655538

IUPAC1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nccc(NC3COC3)n2)CC1
InChIInChI=1S/C14H21N5O2/c1-2-13(20)18-5-7-19(8-6-18)14-15-4-3-12(17-14)16-11-9-21-10-11/h3-4,11H,2,5-10H2,1H3,(H,15,16,17)
InChIKeyYMOFLJWKSJQHIL-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.35
Rot. Bonds4

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

1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 144655538) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID144655538
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nccc(NC3COC3)n2)CC1
InChIInChI=1S/C14H21N5O2/c1-2-13(20)18-5-7-19(8-6-18)14-15-4-3-12(17-14)16-11-9-21-10-11/h3-4,11H,2,5-10H2,1H3,(H,15,16,17)
InChIKeyYMOFLJWKSJQHIL-UHFFFAOYSA-N
XLogP0.35
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-[4-methyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118549624
1-[4-[4-tert-butyl-6-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 118546942
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112888116
ethyl 4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 112884037
N-(azetidin-3-yl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 144655908
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549633
2-(4-methylpiperazin-1-yl)-6-(oxetan-3-ylamino)pyrimidine-4-carboxylic acid
CID 162458584
1-[4-(oxan-3-ylamino)pyrimidin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048445
1-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 167806026
N-cycloheptyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884053
N-cycloheptyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112884682
2-(azetidin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90245533

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (CID 144655538) is 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nccc(NC3COC3)n2)CC1.
What is the InChIKey of 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is YMOFLJWKSJQHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-13(20)18-5-7-19(8-6-18)14-15-4-3-12(17-14)16-11-9-21-10-11/h3-4,11H,2,5-10H2,1H3,(H,15,16,17).
What are the key properties of 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 291.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(oxetan-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 144655538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).