2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one

C12H17ClN4O — CID 112696405

IUPAC2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1ncc(Cl)cn1)C(=O)N1CCCCC1
InChIInChI=1S/C12H17ClN4O/c1-9(11(18)17-5-3-2-4-6-17)16-12-14-7-10(13)8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyUCQGAOKIHMVPEX-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.94
Rot. Bonds3

About 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one

2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 112696405) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID112696405
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1ncc(Cl)cn1)C(=O)N1CCCCC1
InChIInChI=1S/C12H17ClN4O/c1-9(11(18)17-5-3-2-4-6-17)16-12-14-7-10(13)8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyUCQGAOKIHMVPEX-UHFFFAOYSA-N
XLogP1.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-(2,4,6-trichloroanilino)propan-1-one
CID 43126506
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 115584173
1-piperazin-1-yl-2-(pyrimidin-2-ylamino)propan-1-one
CID 82510577
5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625511
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106958406
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104878840
2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
CID 115596229
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 112696405) is 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one is CC(Nc1ncc(Cl)cn1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is UCQGAOKIHMVPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-9(11(18)17-5-3-2-4-6-17)16-12-14-7-10(13)8-15-12/h7-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 268.75 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112696405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).