1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine

C13H21ClN4 — CID 80664621

IUPAC1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1cc(Cl)nc(CN2CCCCC2C(C)N)n1
InChIInChI=1S/C13H21ClN4/c1-9-7-12(14)17-13(16-9)8-18-6-4-3-5-11(18)10(2)15/h7,10-11H,3-6,8,15H2,1-2H3
InChIKeyRHQWEJCAVQJDBK-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.14
Rot. Bonds3

About 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine

1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine (PubChem CID 80664621) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine
PubChem CID80664621
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine
SMILESCc1cc(Cl)nc(CN2CCCCC2C(C)N)n1
InChIInChI=1S/C13H21ClN4/c1-9-7-12(14)17-13(16-9)8-18-6-4-3-5-11(18)10(2)15/h7,10-11H,3-6,8,15H2,1-2H3
InChIKeyRHQWEJCAVQJDBK-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

4-chloro-2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-6-methylpyrimidine
CID 80663771
1-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 63255733
1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134
1-[1-[(2-methyltetrazol-5-yl)methyl]piperidin-2-yl]ethanamine
CID 107040723
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine (CID 80664621) is 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine is Cc1cc(Cl)nc(CN2CCCCC2C(C)N)n1.
What is the InChIKey of 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is RHQWEJCAVQJDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-9-7-12(14)17-13(16-9)8-18-6-4-3-5-11(18)10(2)15/h7,10-11H,3-6,8,15H2,1-2H3.
What are the key properties of 1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine 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-[1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 80664621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).