2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

C11H17ClN4 — CID 71638559

IUPAC2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCCNC2)nc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h5,9,13H,2-4,6-7H2,1H3,(H,14,15,16)
InChIKeyAUQGYSAEDOQJSC-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.85
Rot. Bonds3

About 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 71638559) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
PubChem CID71638559
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCC2CCCNC2)nc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h5,9,13H,2-4,6-7H2,1H3,(H,14,15,16)
InChIKeyAUQGYSAEDOQJSC-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638558
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 71638564
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638563
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
methyl 4-methyl-6-(piperidin-3-ylmethylamino)pyrimidine-2-carboxylate
CID 66285498
2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 56768393
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911292
2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
2-chloro-6-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71638529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine (CID 71638559) is 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is Cc1cc(NCC2CCCNC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is AUQGYSAEDOQJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h5,9,13H,2-4,6-7H2,1H3,(H,14,15,16).
What are the key properties of 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine?
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 240.74 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 71638559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).