[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine

C13H21ClN4 — CID 80663933

IUPAC[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine
SMILESCc1cc(Cl)nc(CN2C(C)CCCC2CN)n1
InChIInChI=1S/C13H21ClN4/c1-9-6-12(14)17-13(16-9)8-18-10(2)4-3-5-11(18)7-15/h6,10-11H,3-5,7-8,15H2,1-2H3
InChIKeyKHXVWNMSYCDKPR-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.14
Rot. Bonds3

About [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine

[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine (PubChem CID 80663933) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine
PubChem CID80663933
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine
SMILESCc1cc(Cl)nc(CN2C(C)CCCC2CN)n1
InChIInChI=1S/C13H21ClN4/c1-9-6-12(14)17-13(16-9)8-18-10(2)4-3-5-11(18)7-15/h6,10-11H,3-5,7-8,15H2,1-2H3
InChIKeyKHXVWNMSYCDKPR-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine
CID 80664621
4-chloro-2-[(3,5-dimethylpiperidin-1-yl)methyl]-6-methylpyrimidine
CID 80664820
2-[[2-(aminomethyl)-6-methylpiperidin-1-yl]methyl]-3-chlorophenol
CID 113277018
4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]-6-methylpyrimidine
CID 80663694
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 80663533
[6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-2-yl]methanamine
CID 82868582
4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
CID 80663771
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
CID 80664015
4-chloro-2-[(3-ethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 164662191
[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperidin-2-yl]methanamine
CID 112669983
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
CID 81460276
4-chloro-2-[(3,3-dimethylazetidin-1-yl)methyl]-6-methylpyrimidine
CID 131086620

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine (CID 80663933) is [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine is Cc1cc(Cl)nc(CN2C(C)CCCC2CN)n1.
What is the InChIKey of [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine?
The InChIKey is KHXVWNMSYCDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-6-12(14)17-13(16-9)8-18-10(2)4-3-5-11(18)7-15/h6,10-11H,3-5,7-8,15H2,1-2H3.
What are the key properties of [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine?
[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 80663933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).