1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone

C13H20ClN5O — CID 131892768

IUPAC1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CNc2nc(N)nc(C)c2Cl)CC1
InChIInChI=1S/C13H20ClN5O/c1-8-11(14)12(18-13(15)17-8)16-7-10-3-5-19(6-4-10)9(2)20/h10H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyQEHUDEUADNJQDZ-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.69
Rot. Bonds3

About 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone

1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 131892768) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID131892768
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CNc2nc(N)nc(C)c2Cl)CC1
InChIInChI=1S/C13H20ClN5O/c1-8-11(14)12(18-13(15)17-8)16-7-10-3-5-19(6-4-10)9(2)20/h10H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyQEHUDEUADNJQDZ-UHFFFAOYSA-N
XLogP1.69
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
CID 119035683
5-chloro-4-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-methylpyrimidine-2,4-diamine
CID 125443506
5-Chloro-4-methyl-6-(2-methyl-2,8-diazaspiro[4.5]dec-8-yl)pyrimidin-2-amine
CID 132419824
N-[[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methyl]acetamide
CID 133274929
1-[4-[[[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133346984
N-({1-[5,6-dimethyl-2-(methylsulfanyl)pyrimidin-4-yl]-4-fluoropiperidin-4-yl}methyl)acetamide
CID 171326542
1-[4-(dimethylamino)-6-methylpyrimidin-2-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 3228728
N-[2-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]ethyl]acetamide
CID 56710970
1-[4-[4-Methyl-6-(propan-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95846504
5-chloro-6-methyl-N~4~-[1-(pyrrolidin-1-ylcarbonyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 132406730
1-[4-[(5-Chloro-6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 20692615
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 66801680

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone (CID 131892768) is 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CNc2nc(N)nc(C)c2Cl)CC1.
What is the InChIKey of 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is QEHUDEUADNJQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c1-8-11(14)12(18-13(15)17-8)16-7-10-3-5-19(6-4-10)9(2)20/h10H,3-7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone?
1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 297.79 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2-amino-5-chloro-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 131892768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).