(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one

C10H12ClFN4O — CID 178126580

IUPAC(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one
SMILESC[C@@H](Nc1ncnc(Cl)c1F)C(=O)N1CCC1
InChIInChI=1S/C10H12ClFN4O/c1-6(10(17)16-3-2-4-16)15-9-7(12)8(11)13-5-14-9/h5-6H,2-4H2,1H3,(H,13,14,15)/t6-/m1/s1
InChIKeyYXKVMLLONIWRNV-ZCFIWIBFSA-N
MW258.68 g/mol
LogP1.30
Rot. Bonds3

About (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one

(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one (PubChem CID 178126580) has the molecular formula C10H12ClFN4O and a molecular weight of 258.68 g/mol. Its IUPAC name is (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one
PubChem CID178126580
Molecular FormulaC10H12ClFN4O
Molecular Weight258.68 g/mol
Exact Mass258.07
IUPAC Name(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one
SMILESC[C@@H](Nc1ncnc(Cl)c1F)C(=O)N1CCC1
InChIInChI=1S/C10H12ClFN4O/c1-6(10(17)16-3-2-4-16)15-9-7(12)8(11)13-5-14-9/h5-6H,2-4H2,1H3,(H,13,14,15)/t6-/m1/s1
InChIKeyYXKVMLLONIWRNV-ZCFIWIBFSA-N
XLogP1.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one with MolForge

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Related Compounds

(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one;trifluoromethanol
CID 178126579
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112551708
(2R)-1-(azetidin-1-yl)-2-[[6-(5-chloro-2-pyridinyl)pyrimidin-4-yl]amino]propan-1-one;trifluoromethanol
CID 178126635
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115574255
(2S)-1-piperidin-1-yl-2-(thieno[3,2-d]pyrimidin-4-ylamino)propan-1-one
CID 95578449
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696405
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898
2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 11375067
2-[(3-aminoquinoxalin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 102987185
1-(azepan-1-yl)-2-(2,4,6-trichloroanilino)propan-1-one
CID 43126506
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one?
The IUPAC name of (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one (CID 178126580) is (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one.
What is the SMILES notation for (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one?
The canonical SMILES for (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one is C[C@@H](Nc1ncnc(Cl)c1F)C(=O)N1CCC1.
What is the InChIKey of (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one?
The InChIKey is YXKVMLLONIWRNV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClFN4O/c1-6(10(17)16-3-2-4-16)15-9-7(12)8(11)13-5-14-9/h5-6H,2-4H2,1H3,(H,13,14,15)/t6-/m1/s1.
What are the key properties of (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one?
(2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one has a molecular weight of 258.68 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(azetidin-1-yl)-2-[(6-chloro-5-fluoropyrimidin-4-yl)amino]propan-1-one is sourced from PubChem (CID 178126580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).