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

C11H18Cl2N4 — CID 71638558

IUPAC2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCc1cc(NCC2CCCNC2)nc(Cl)n1.Cl
InChIInChI=1S/C11H17ClN4.ClH/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);1H
InChIKeyVETSZQJOJODWBZ-UHFFFAOYSA-N
MW277.20 g/mol
LogP2.27
Rot. Bonds3

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

2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride (PubChem CID 71638558) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
PubChem CID71638558
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
SMILESCc1cc(NCC2CCCNC2)nc(Cl)n1.Cl
InChIInChI=1S/C11H17ClN4.ClH/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);1H
InChIKeyVETSZQJOJODWBZ-UHFFFAOYSA-N
XLogP2.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.27
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
CID 71638559
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638563
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 71638564
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;hydrochloride?
The IUPAC name of 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride (CID 71638558) is 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride is Cc1cc(NCC2CCCNC2)nc(Cl)n1.Cl.
What is the InChIKey of 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
The InChIKey is VETSZQJOJODWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4.ClH/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);1H.
What are the key properties of 2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride?
2-chloro-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine;hydrochloride has a molecular weight of 277.20 g/mol, XLogP of 2.27, 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;hydrochloride is sourced from PubChem (CID 71638558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).