N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride

C6H11Cl2N3 — CID 75485360

IUPACN-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride
SMILESCNCc1ccncn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-7-4-6-2-3-8-5-9-6;;/h2-3,5,7H,4H2,1H3;2*1H
InChIKeyFXWOAOXEKIEANY-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.04
Rot. Bonds2

About N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride

N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride (PubChem CID 75485360) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride
PubChem CID75485360
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC NameN-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride
SMILESCNCc1ccncn1.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-7-4-6-2-3-8-5-9-6;;/h2-3,5,7H,4H2,1H3;2*1H
InChIKeyFXWOAOXEKIEANY-UHFFFAOYSA-N
XLogP1.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride?
The IUPAC name of N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride (CID 75485360) is N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride.
What is the SMILES notation for N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride?
The canonical SMILES for N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride is CNCc1ccncn1.Cl.Cl.
What is the InChIKey of N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride?
The InChIKey is FXWOAOXEKIEANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-7-4-6-2-3-8-5-9-6;;/h2-3,5,7H,4H2,1H3;2*1H.
What are the key properties of N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride?
N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrimidin-4-ylmethanamine;dihydrochloride is sourced from PubChem (CID 75485360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).