2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine

C13H11N3 — CID 164941747

IUPAC2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine
SMILESCC#Cc1cccc(-c2ccnc(C)n2)n1
InChIInChI=1S/C13H11N3/c1-3-5-11-6-4-7-12(16-11)13-8-9-14-10(2)15-13/h4,6-9H,1-2H3
InChIKeyZWNZUHVNCJMXBL-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.22
Rot. Bonds1

About 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine

2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine (PubChem CID 164941747) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine
PubChem CID164941747
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine
SMILESCC#Cc1cccc(-c2ccnc(C)n2)n1
InChIInChI=1S/C13H11N3/c1-3-5-11-6-4-7-12(16-11)13-8-9-14-10(2)15-13/h4,6-9H,1-2H3
InChIKeyZWNZUHVNCJMXBL-UHFFFAOYSA-N
XLogP2.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine?
The IUPAC name of 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine (CID 164941747) is 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine is CC#Cc1cccc(-c2ccnc(C)n2)n1.
What is the InChIKey of 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine?
The InChIKey is ZWNZUHVNCJMXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-3-5-11-6-4-7-12(16-11)13-8-9-14-10(2)15-13/h4,6-9H,1-2H3.
What are the key properties of 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine?
2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine has a molecular weight of 209.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-prop-1-ynyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 164941747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).