1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one

C14H21ClN4O — CID 133282593

IUPAC1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCc1nc(Cl)cc(NC2CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C14H21ClN4O/c1-9(2)14(20)19-6-4-11(5-7-19)18-13-8-12(15)16-10(3)17-13/h8-9,11H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyZIIRPZILPNSILI-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.50
Rot. Bonds3

About 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 133282593) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID133282593
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCc1nc(Cl)cc(NC2CCN(C(=O)C(C)C)CC2)n1
InChIInChI=1S/C14H21ClN4O/c1-9(2)14(20)19-6-4-11(5-7-19)18-13-8-12(15)16-10(3)17-13/h8-9,11H,4-7H2,1-3H3,(H,16,17,18)
InChIKeyZIIRPZILPNSILI-UHFFFAOYSA-N
XLogP2.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133418296
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
tert-butyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 121204750
[3-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-cyclopentylmethanone
CID 133367003
6-chloro-N-(1,1-dioxothian-4-yl)-2-methylpyrimidin-4-amine
CID 55079915
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
6-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313774
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32542302
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112689350
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
1-[4-(2,6-dichloro-3-methylpyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 154847922

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one (CID 133282593) is 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one is Cc1nc(Cl)cc(NC2CCN(C(=O)C(C)C)CC2)n1.
What is the InChIKey of 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZIIRPZILPNSILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-9(2)14(20)19-6-4-11(5-7-19)18-13-8-12(15)16-10(3)17-13/h8-9,11H,4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 133282593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).