N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride

C18H27Cl2N5O2S — CID 154886844

IUPACN-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride
SMILESCN(CCc1ccccn1)c1ncc(S(C)(=O)=O)c(C2CCCNC2)n1.Cl.Cl
InChIInChI=1S/C18H25N5O2S.2ClH/c1-23(11-8-15-7-3-4-10-20-15)18-21-13-16(26(2,24)25)17(22-18)14-6-5-9-19-12-14;;/h3-4,7,10,13-14,19H,5-6,8-9,11-12H2,1-2H3;2*1H
InChIKeyIQXMKULINZCVMR-UHFFFAOYSA-N
MW448.42 g/mol
LogP2.26
Rot. Bonds6

About N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride

N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride (PubChem CID 154886844) has the molecular formula C18H27Cl2N5O2S and a molecular weight of 448.42 g/mol. Its IUPAC name is N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride
PubChem CID154886844
Molecular FormulaC18H27Cl2N5O2S
Molecular Weight448.42 g/mol
Exact Mass447.13
IUPAC NameN-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride
SMILESCN(CCc1ccccn1)c1ncc(S(C)(=O)=O)c(C2CCCNC2)n1.Cl.Cl
InChIInChI=1S/C18H25N5O2S.2ClH/c1-23(11-8-15-7-3-4-10-20-15)18-21-13-16(26(2,24)25)17(22-18)14-6-5-9-19-12-14;;/h3-4,7,10,13-14,19H,5-6,8-9,11-12H2,1-2H3;2*1H
InChIKeyIQXMKULINZCVMR-UHFFFAOYSA-N
XLogP2.26
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95551754
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 95870418
2-(3-methylbutyl)-5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidine
CID 95525185
N-[(4-methyl-2-pyridinyl)methyl]-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine;dihydrochloride
CID 154886969
N-cyclobutyl-5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-amine
CID 70759893
N-cycloheptyl-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897104
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 70736895
1-[5-methylsulfonyl-4-[(3R)-piperidin-3-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95894083
N-(3-methylbutyl)-5-methylsulfonyl-4-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 95897235
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 70716018
5-methylsulfonyl-4-[(3R)-piperidin-3-yl]-N-(2-pyrazol-1-ylethyl)pyrimidin-2-amine
CID 95874828
1-(5-methylsulfonyl-4-piperidin-3-ylpyrimidin-2-yl)azocane;hydrochloride
CID 154885101

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride?
The IUPAC name of N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride (CID 154886844) is N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride?
The canonical SMILES for N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride is CN(CCc1ccccn1)c1ncc(S(C)(=O)=O)c(C2CCCNC2)n1.Cl.Cl.
What is the InChIKey of N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride?
The InChIKey is IQXMKULINZCVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S.2ClH/c1-23(11-8-15-7-3-4-10-20-15)18-21-13-16(26(2,24)25)17(22-18)14-6-5-9-19-12-14;;/h3-4,7,10,13-14,19H,5-6,8-9,11-12H2,1-2H3;2*1H.
What are the key properties of N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride?
N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride has a molecular weight of 448.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 154886844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).