N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride

C11H20Cl2N4 — CID 171700739

IUPACN,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
SMILESCc1cnc(N(C)C2CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C11H18N4.2ClH/c1-9-7-13-11(14-8-9)15(2)10-3-5-12-6-4-10;;/h7-8,10,12H,3-6H2,1-2H3;2*1H
InChIKeySOCNSKGLBLGRSJ-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.82
Rot. Bonds2

About N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride

N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride (PubChem CID 171700739) has the molecular formula C11H20Cl2N4 and a molecular weight of 279.22 g/mol. Its IUPAC name is N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
PubChem CID171700739
Molecular FormulaC11H20Cl2N4
Molecular Weight279.22 g/mol
Exact Mass278.11
IUPAC NameN,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
SMILESCc1cnc(N(C)C2CCNCC2)nc1.Cl.Cl
InChIInChI=1S/C11H18N4.2ClH/c1-9-7-13-11(14-8-9)15(2)10-3-5-12-6-4-10;;/h7-8,10,12H,3-6H2,1-2H3;2*1H
InChIKeySOCNSKGLBLGRSJ-UHFFFAOYSA-N
XLogP1.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride?
The IUPAC name of N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride (CID 171700739) is N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride.
What is the SMILES notation for N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride?
The canonical SMILES for N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride is Cc1cnc(N(C)C2CCNCC2)nc1.Cl.Cl.
What is the InChIKey of N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride?
The InChIKey is SOCNSKGLBLGRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4.2ClH/c1-9-7-13-11(14-8-9)15(2)10-3-5-12-6-4-10;;/h7-8,10,12H,3-6H2,1-2H3;2*1H.
What are the key properties of N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride?
N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride has a molecular weight of 279.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride is sourced from PubChem (CID 171700739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).