1-methyl-2H-pyrimidine

C5H8N2 — CID 18974088

IUPAC1-methyl-2H-pyrimidine
SMILESCN1C=CC=NC1
InChIInChI=1S/C5H8N2/c1-7-4-2-3-6-5-7/h2-4H,5H2,1H3
InChIKeyPWGLCBCNZAZIIE-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.47
Rot. Bonds

About 1-methyl-2H-pyrimidine

1-methyl-2H-pyrimidine (PubChem CID 18974088) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-methyl-2H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2H-pyrimidine
PubChem CID18974088
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1-methyl-2H-pyrimidine
SMILESCN1C=CC=NC1
InChIInChI=1S/C5H8N2/c1-7-4-2-3-6-5-7/h2-4H,5H2,1H3
InChIKeyPWGLCBCNZAZIIE-UHFFFAOYSA-N
XLogP0.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyrimidine?
The IUPAC name of 1-methyl-2H-pyrimidine (CID 18974088) is 1-methyl-2H-pyrimidine.
What is the SMILES notation for 1-methyl-2H-pyrimidine?
The canonical SMILES for 1-methyl-2H-pyrimidine is CN1C=CC=NC1.
What is the InChIKey of 1-methyl-2H-pyrimidine?
The InChIKey is PWGLCBCNZAZIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-7-4-2-3-6-5-7/h2-4H,5H2,1H3.
What are the key properties of 1-methyl-2H-pyrimidine?
1-methyl-2H-pyrimidine has a molecular weight of 96.13 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyrimidine is sourced from PubChem (CID 18974088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).