4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one

C10H14ClN5O — CID 71092836

IUPAC4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one
SMILESNc1ncnc(NCC2CCNC(=O)C2)c1Cl
InChIInChI=1S/C10H14ClN5O/c11-8-9(12)15-5-16-10(8)14-4-6-1-2-13-7(17)3-6/h5-6H,1-4H2,(H,13,17)(H3,12,14,15,16)
InChIKeyLCKDSGJGBKGFIE-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.65
Rot. Bonds3

About 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one

4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one (PubChem CID 71092836) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one
PubChem CID71092836
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one
SMILESNc1ncnc(NCC2CCNC(=O)C2)c1Cl
InChIInChI=1S/C10H14ClN5O/c11-8-9(12)15-5-16-10(8)14-4-6-1-2-13-7(17)3-6/h5-6H,1-4H2,(H,13,17)(H3,12,14,15,16)
InChIKeyLCKDSGJGBKGFIE-UHFFFAOYSA-N
XLogP0.65
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one with MolForge

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Related Compounds

N-[1-[1-(6-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]ethyl]acetamide
CID 119035683
(5S)-7-(6-amino-5-chloropyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-3-one
CID 164632559
1-(6-Amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide
CID 134504081
1-(6-amino-5-fluoropyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 134504088
1-(6-amino-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 134504167
1-(2-chloro-5-fluoropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 79080723
3-[(6-Amino-5-chloropyrimidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 122148749
(3S)-3-[(6-amino-5-chloropyrimidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 125139036
(3R)-3-[(6-amino-5-chloropyrimidin-4-yl)amino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 125139037
1-[6-(Ethylamino)-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide
CID 142072886
1-[5-Fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 142072932
1-[6-[3-(Dimethylamino)propylamino]-5-fluoropyrimidin-4-yl]piperidine-3-carboxamide
CID 142073018

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one?
The IUPAC name of 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one (CID 71092836) is 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one is Nc1ncnc(NCC2CCNC(=O)C2)c1Cl.
What is the InChIKey of 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one?
The InChIKey is LCKDSGJGBKGFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O/c11-8-9(12)15-5-16-10(8)14-4-6-1-2-13-7(17)3-6/h5-6H,1-4H2,(H,13,17)(H3,12,14,15,16).
What are the key properties of 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one?
4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one has a molecular weight of 255.71 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 71092836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).