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

C11H18Cl2N4 — CID 71642119

IUPAC5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
SMILESCN(CC1CCCNC1)c1ncc(Cl)cn1.Cl
InChIInChI=1S/C11H17ClN4.ClH/c1-16(8-9-3-2-4-13-5-9)11-14-6-10(12)7-15-11;/h6-7,9,13H,2-5,8H2,1H3;1H
InChIKeyDLHCNZJDPJGDNO-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.99
Rot. Bonds3

About 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride

5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride (PubChem CID 71642119) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
PubChem CID71642119
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
SMILESCN(CC1CCCNC1)c1ncc(Cl)cn1.Cl
InChIInChI=1S/C11H17ClN4.ClH/c1-16(8-9-3-2-4-13-5-9)11-14-6-10(12)7-15-11;/h6-7,9,13H,2-5,8H2,1H3;1H
InChIKeyDLHCNZJDPJGDNO-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 106642815
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 107124553
N-methyl-N-(piperidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642141
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 71642202
5-chloro-2-(piperidin-3-ylmethylsulfanyl)pyrimidine;hydrochloride
CID 71640185
4,6-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 106642807
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
N,1-dimethyl-N-(piperidin-3-ylmethyl)imidazol-2-amine
CID 106642829
7-chloro-N-methyl-N-(piperidin-3-ylmethyl)quinolin-4-amine
CID 106642854

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride?
The IUPAC name of 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride (CID 71642119) is 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride is CN(CC1CCCNC1)c1ncc(Cl)cn1.Cl.
What is the InChIKey of 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride?
The InChIKey is DLHCNZJDPJGDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4.ClH/c1-16(8-9-3-2-4-13-5-9)11-14-6-10(12)7-15-11;/h6-7,9,13H,2-5,8H2,1H3;1H.
What are the key properties of 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride?
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride has a molecular weight of 277.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 71642119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).