4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride

C12H21ClN4 — CID 71638393

IUPAC4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(NCC2CCCCN2)n1.Cl
InChIInChI=1S/C12H20N4.ClH/c1-9-7-10(2)16-12(15-9)14-8-11-5-3-4-6-13-11;/h7,11,13H,3-6,8H2,1-2H3,(H,14,15,16);1H
InChIKeyCUNGOQMMUQCZCM-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.07
Rot. Bonds3

About 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride

4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride (PubChem CID 71638393) has the molecular formula C12H21ClN4 and a molecular weight of 256.78 g/mol. Its IUPAC name is 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
PubChem CID71638393
Molecular FormulaC12H21ClN4
Molecular Weight256.78 g/mol
Exact Mass256.15
IUPAC Name4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
SMILESCc1cc(C)nc(NCC2CCCCN2)n1.Cl
InChIInChI=1S/C12H20N4.ClH/c1-9-7-10(2)16-12(15-9)14-8-11-5-3-4-6-13-11;/h7,11,13H,3-6,8H2,1-2H3,(H,14,15,16);1H
InChIKeyCUNGOQMMUQCZCM-UHFFFAOYSA-N
XLogP2.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 71638479
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
4,6-dimethyl-N-[(5-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 77438456
4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716590
4,5-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 83838031
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
N-[(3,3-dimethylpiperidin-2-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 114083950
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974786
5-cyclohexyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974804
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride (CID 71638393) is 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride is Cc1cc(C)nc(NCC2CCCCN2)n1.Cl.
What is the InChIKey of 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride?
The InChIKey is CUNGOQMMUQCZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.ClH/c1-9-7-10(2)16-12(15-9)14-8-11-5-3-4-6-13-11;/h7,11,13H,3-6,8H2,1-2H3,(H,14,15,16);1H.
What are the key properties of 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride?
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 71638393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).