2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide

C14H21ClN4O — CID 133442555

IUPAC2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
SMILESCc1nc(Cl)cc(N2CCC(CC(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H21ClN4O/c1-10-16-12(15)9-13(17-10)19-6-4-11(5-7-19)8-14(20)18(2)3/h9,11H,4-8H2,1-3H3
InChIKeyZXDVRMSXGBPUCB-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.13
Rot. Bonds3

About 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide

2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide (PubChem CID 133442555) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
PubChem CID133442555
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
SMILESCc1nc(Cl)cc(N2CCC(CC(=O)N(C)C)CC2)n1
InChIInChI=1S/C14H21ClN4O/c1-10-16-12(15)9-13(17-10)19-6-4-11(5-7-19)8-14(20)18(2)3/h9,11H,4-8H2,1-3H3
InChIKeyZXDVRMSXGBPUCB-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
2-[1-(6-amino-2-butylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
CID 72934449
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 133461511
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
1-(6-chloro-2-methylpyrimidin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356405
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
N,N-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95867700
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
N-[[1-(6-amino-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 102737091

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide (CID 133442555) is 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide is Cc1nc(Cl)cc(N2CCC(CC(=O)N(C)C)CC2)n1.
What is the InChIKey of 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide?
The InChIKey is ZXDVRMSXGBPUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-10-16-12(15)9-13(17-10)19-6-4-11(5-7-19)8-14(20)18(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide?
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide has a molecular weight of 296.80 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 133442555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).