2-methyl-4-(1H-pyrrol-2-yl)pyrimidine

C9H9N3 — CID 116903909

IUPAC2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
SMILESCc1nccc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H9N3/c1-7-10-6-4-9(12-7)8-3-2-5-11-8/h2-6,11H,1H3
InChIKeyGNFJRFAVZMKCJW-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.78
Rot. Bonds1

About 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine

2-methyl-4-(1H-pyrrol-2-yl)pyrimidine (PubChem CID 116903909) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
PubChem CID116903909
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
SMILESCc1nccc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H9N3/c1-7-10-6-4-9(12-7)8-3-2-5-11-8/h2-6,11H,1H3
InChIKeyGNFJRFAVZMKCJW-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898152
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898827
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
3-amino-3-[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]propanoic acid
CID 116902333
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
4-(1H-pyrrol-2-yl)triazine;hydroiodide
CID 175023934
2-(pyrrolidin-2-ylmethyl)-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898922
4-(3,5-diphenylphenyl)-2-methylpyrimidine
CID 129265272
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
2-(1H-pyrrol-2-yl)pyridine;quinoline
CID 174826591
2-ethyl-5-(1H-pyrrol-2-yl)pyrazine
CID 160769784
2-(2-methylpyrimidin-4-yl)-1H-imidazol-5-ol
CID 137273176

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine (CID 116903909) is 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine is Cc1nccc(-c2ccc[nH]2)n1.
What is the InChIKey of 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine?
The InChIKey is GNFJRFAVZMKCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-7-10-6-4-9(12-7)8-3-2-5-11-8/h2-6,11H,1H3.
What are the key properties of 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine?
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine has a molecular weight of 159.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1H-pyrrol-2-yl)pyrimidine is sourced from PubChem (CID 116903909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).