N-methyl-1-pyrimidin-5-ylmethanamine

C6H9N3 — CID 20607229

IUPACN-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNCc1cncnc1
InChIInChI=1S/C6H9N3/c1-7-2-6-3-8-5-9-4-6/h3-5,7H,2H2,1H3
InChIKeyXOXVBDCJZLBOAF-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.20
Rot. Bonds2

About N-methyl-1-pyrimidin-5-ylmethanamine

N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 20607229) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID20607229
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNCc1cncnc1
InChIInChI=1S/C6H9N3/c1-7-2-6-3-8-5-9-4-6/h3-5,7H,2H2,1H3
InChIKeyXOXVBDCJZLBOAF-UHFFFAOYSA-N
XLogP0.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.20
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-5-ylmethanamine?
The IUPAC name of N-methyl-1-pyrimidin-5-ylmethanamine (CID 20607229) is N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for N-methyl-1-pyrimidin-5-ylmethanamine is CNCc1cncnc1.
What is the InChIKey of N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is XOXVBDCJZLBOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-7-2-6-3-8-5-9-4-6/h3-5,7H,2H2,1H3.
What are the key properties of N-methyl-1-pyrimidin-5-ylmethanamine?
N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 123.16 g/mol, XLogP of 0.20, 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-5-ylmethanamine is sourced from PubChem (CID 20607229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).