6-methyl-2H-pyrimidin-1-amine

C5H9N3 — CID 142709702

IUPAC6-methyl-2H-pyrimidin-1-amine
SMILESCC1=CC=NCN1N
InChIInChI=1S/C5H9N3/c1-5-2-3-7-4-8(5)6/h2-3H,4,6H2,1H3
InChIKeyMZCMKWHBLJAFTL-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.11
Rot. Bonds

About 6-methyl-2H-pyrimidin-1-amine

6-methyl-2H-pyrimidin-1-amine (PubChem CID 142709702) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 6-methyl-2H-pyrimidin-1-amine.

Molecular Properties

Compound Name6-methyl-2H-pyrimidin-1-amine
PubChem CID142709702
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name6-methyl-2H-pyrimidin-1-amine
SMILESCC1=CC=NCN1N
InChIInChI=1S/C5H9N3/c1-5-2-3-7-4-8(5)6/h2-3H,4,6H2,1H3
InChIKeyMZCMKWHBLJAFTL-UHFFFAOYSA-N
XLogP0.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2H-pyrimidin-1-amine?
The IUPAC name of 6-methyl-2H-pyrimidin-1-amine (CID 142709702) is 6-methyl-2H-pyrimidin-1-amine.
What is the SMILES notation for 6-methyl-2H-pyrimidin-1-amine?
The canonical SMILES for 6-methyl-2H-pyrimidin-1-amine is CC1=CC=NCN1N.
What is the InChIKey of 6-methyl-2H-pyrimidin-1-amine?
The InChIKey is MZCMKWHBLJAFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-5-2-3-7-4-8(5)6/h2-3H,4,6H2,1H3.
What are the key properties of 6-methyl-2H-pyrimidin-1-amine?
6-methyl-2H-pyrimidin-1-amine has a molecular weight of 111.15 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-pyrimidin-1-amine is sourced from PubChem (CID 142709702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).