1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone

C16H26N6O — CID 90245510

IUPAC1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(NC3CNC3)cc(C(C)C)n2)CC1
InChIInChI=1S/C16H26N6O/c1-11(2)14-8-15(18-13-9-17-10-13)20-16(19-14)22-6-4-21(5-7-22)12(3)23/h8,11,13,17H,4-7,9-10H2,1-3H3,(H,18,19,20)
InChIKeyGXVGNNNAEVDPHE-UHFFFAOYSA-N
MW318.43 g/mol
LogP0.65
Rot. Bonds4

About 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 90245510) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID90245510
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(NC3CNC3)cc(C(C)C)n2)CC1
InChIInChI=1S/C16H26N6O/c1-11(2)14-8-15(18-13-9-17-10-13)20-16(19-14)22-6-4-21(5-7-22)12(3)23/h8,11,13,17H,4-7,9-10H2,1-3H3,(H,18,19,20)
InChIKeyGXVGNNNAEVDPHE-UHFFFAOYSA-N
XLogP0.65
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(azetidin-1-yl)-N-(azetidin-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 144655724
1-[3-[[2-(4-methylpiperazin-1-yl)-6-propan-2-ylpyrimidin-4-yl]amino]azetidin-1-yl]ethanone
CID 90248752
N-(oxetan-3-yl)-2-piperazin-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 118617228
1-[(3R)-3-[[2,6-di(propan-2-yl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]ethanone
CID 97101804
N-(azetidin-3-yl)-6-methyl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 90245413
1-[(3R)-3-[(6-propan-2-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]ethanone
CID 126724529
N-methyl-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192524
1-[3-[[2-(4-methylpiperazin-1-yl)-6-(2-sulfanylpropan-2-yl)pyrimidin-4-yl]amino]azetidin-1-yl]ethanone
CID 144986545
N-(azetidin-3-yl)-6-tert-butyl-2-piperazin-1-ylpyrimidin-4-amine
CID 118546939
[2-(azepan-1-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
CID 62250697
1-[4-[4-(tert-butylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112915012
methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
CID 162458199

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone (CID 90245510) is 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(NC3CNC3)cc(C(C)C)n2)CC1.
What is the InChIKey of 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is GXVGNNNAEVDPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-11(2)14-8-15(18-13-9-17-10-13)20-16(19-14)22-6-4-21(5-7-22)12(3)23/h8,11,13,17H,4-7,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 318.43 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(azetidin-3-ylamino)-6-propan-2-ylpyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90245510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).