5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene

C13H16ClN3 — CID 144908785

IUPAC5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene
SMILESC=CC.Cc1ncc(Cl)c(-c2ccn(C)c2)n1
InChIInChI=1S/C10H10ClN3.C3H6/c1-7-12-5-9(11)10(13-7)8-3-4-14(2)6-8;1-3-2/h3-6H,1-2H3;3H,1H2,2H3
InChIKeyHCDORMBFQNZKBY-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.64
Rot. Bonds1

About 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene

5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene (PubChem CID 144908785) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene.

Molecular Properties

Compound Name5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene
PubChem CID144908785
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene
SMILESC=CC.Cc1ncc(Cl)c(-c2ccn(C)c2)n1
InChIInChI=1S/C10H10ClN3.C3H6/c1-7-12-5-9(11)10(13-7)8-3-4-14(2)6-8;1-3-2/h3-6H,1-2H3;3H,1H2,2H3
InChIKeyHCDORMBFQNZKBY-UHFFFAOYSA-N
XLogP3.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene?
The IUPAC name of 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene (CID 144908785) is 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene.
What is the SMILES notation for 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene?
The canonical SMILES for 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene is C=CC.Cc1ncc(Cl)c(-c2ccn(C)c2)n1.
What is the InChIKey of 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene?
The InChIKey is HCDORMBFQNZKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3.C3H6/c1-7-12-5-9(11)10(13-7)8-3-4-14(2)6-8;1-3-2/h3-6H,1-2H3;3H,1H2,2H3.
What are the key properties of 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene?
5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene has a molecular weight of 249.74 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-(1-methylpyrrol-3-yl)pyrimidine;prop-1-ene is sourced from PubChem (CID 144908785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).