hydron;4-methylpyrimidine

C5H7N2+ — CID 174915530

IUPAChydron;4-methylpyrimidine
SMILESCc1ccncn1.[H+]
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3/p+1
InChIKeyLVILGAOSPDLNRM-UHFFFAOYSA-O
MW95.12 g/mol
LogP0.90
Rot. Bonds

About hydron;4-methylpyrimidine

hydron;4-methylpyrimidine (PubChem CID 174915530) has the molecular formula C5H7N2+ and a molecular weight of 95.12 g/mol. Its IUPAC name is hydron;4-methylpyrimidine.

Molecular Properties

Compound Namehydron;4-methylpyrimidine
PubChem CID174915530
Molecular FormulaC5H7N2+
Molecular Weight95.12 g/mol
Exact Mass95.06
IUPAC Namehydron;4-methylpyrimidine
SMILESCc1ccncn1.[H+]
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3/p+1
InChIKeyLVILGAOSPDLNRM-UHFFFAOYSA-O
XLogP0.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.12
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylpyrimidine;1,1,1-trifluoroethane
CID 143795671
ethane;bis(4-methylpyridine);4-methylpyrimidine
CID 143707387
ethane;3-methylpyridine;4-methylpyridine;4-methylpyrimidine
CID 145078126
2-deuterio-4-methylpyrimidine
CID 59374871
ethane;2-methylpyrazine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1,3,5-triazine
CID 165070949
3-(methoxymethyl)-7-azabicyclo[4.1.0]hepta-1(6),2,4-triene;4-methylpyrimidine
CID 70421799
1-(4-fluorophenyl)-2-pyrimidin-4-ylethanone;4-methylpyrimidine
CID 159564004
dimethyl(pyrimidin-4-yl)phosphane
CID 137352498
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine
CID 165133484
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
N,N-dimethylpropan-1-amine;ethane;4-methylpyrimidine;pyridine-3-carboxylic acid
CID 166455874

Frequently Asked Questions

What is the IUPAC name of hydron;4-methylpyrimidine?
The IUPAC name of hydron;4-methylpyrimidine (CID 174915530) is hydron;4-methylpyrimidine.
What is the SMILES notation for hydron;4-methylpyrimidine?
The canonical SMILES for hydron;4-methylpyrimidine is Cc1ccncn1.[H+].
What is the InChIKey of hydron;4-methylpyrimidine?
The InChIKey is LVILGAOSPDLNRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3/p+1.
What are the key properties of hydron;4-methylpyrimidine?
hydron;4-methylpyrimidine has a molecular weight of 95.12 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;4-methylpyrimidine is sourced from PubChem (CID 174915530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).