4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine

C11H17ClN4 — CID 71638479

IUPAC4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(Cl)nc(NCC2CCCCN2)n1
InChIInChI=1S/C11H17ClN4/c1-8-6-10(12)16-11(15-8)14-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyNITNKVYAIXCQAZ-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.99
Rot. Bonds3

About 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine

4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 71638479) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID71638479
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
SMILESCc1cc(Cl)nc(NCC2CCCCN2)n1
InChIInChI=1S/C11H17ClN4/c1-8-6-10(12)16-11(15-8)14-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3,(H,14,15,16)
InChIKeyNITNKVYAIXCQAZ-UHFFFAOYSA-N
XLogP1.99
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
4-chloro-6-methyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97163210
4,5-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 83838031
4-chloro-6-methyl-2-(pyrrolidin-2-ylmethylsulfinyl)pyrimidine
CID 71639195
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
6-chloro-N-(piperidin-2-ylmethyl)pyrimidin-4-amine
CID 71639840
4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 77438456
2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
CID 106633086
6-chloro-2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643190

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine (CID 71638479) is 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine is Cc1cc(Cl)nc(NCC2CCCCN2)n1.
What is the InChIKey of 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is NITNKVYAIXCQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-8-6-10(12)16-11(15-8)14-7-9-4-2-3-5-13-9/h6,9,13H,2-5,7H2,1H3,(H,14,15,16).
What are the key properties of 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine?
4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 240.74 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 71638479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).