1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone

C15H20N4O2 — CID 178127159

IUPAC1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone
SMILESCC12CC(c3cc(NCC(=O)N4CCC4)ncn3)(CO1)C2
InChIInChI=1S/C15H20N4O2/c1-14-7-15(8-14,9-21-14)11-5-12(18-10-17-11)16-6-13(20)19-3-2-4-19/h5,10H,2-4,6-9H2,1H3,(H,16,17,18)
InChIKeyUMAXCVAQCBXDGL-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.94
Rot. Bonds4

About 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone

1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone (PubChem CID 178127159) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone
PubChem CID178127159
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone
SMILESCC12CC(c3cc(NCC(=O)N4CCC4)ncn3)(CO1)C2
InChIInChI=1S/C15H20N4O2/c1-14-7-15(8-14,9-21-14)11-5-12(18-10-17-11)16-6-13(20)19-3-2-4-19/h5,10H,2-4,6-9H2,1H3,(H,16,17,18)
InChIKeyUMAXCVAQCBXDGL-UHFFFAOYSA-N
XLogP0.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone with MolForge

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
1-(azetidin-1-yl)-2-[[6-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]pyrimidin-4-yl]amino]ethanone
CID 178126486
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957098
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
2-methyl-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137015554
2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
1-(azepan-1-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081542
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 39081648
2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 80799613
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 102716148

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone (CID 178127159) is 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone is CC12CC(c3cc(NCC(=O)N4CCC4)ncn3)(CO1)C2.
What is the InChIKey of 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone?
The InChIKey is UMAXCVAQCBXDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-14-7-15(8-14,9-21-14)11-5-12(18-10-17-11)16-6-13(20)19-3-2-4-19/h5,10H,2-4,6-9H2,1H3,(H,16,17,18).
What are the key properties of 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone?
1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone has a molecular weight of 288.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[[6-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)pyrimidin-4-yl]amino]ethanone is sourced from PubChem (CID 178127159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).