2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine

C9H10N4 — CID 170388279

IUPAC2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H10N4/c1-6-11-7(2)13-9(12-6)8-4-3-5-10-8/h3-5,10H,1-2H3
InChIKeyVRFLPAQGDBCCGC-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.48
Rot. Bonds1

About 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine

2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine (PubChem CID 170388279) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
PubChem CID170388279
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine
SMILESCc1nc(C)nc(-c2ccc[nH]2)n1
InChIInChI=1S/C9H10N4/c1-6-11-7(2)13-9(12-6)8-4-3-5-10-8/h3-5,10H,1-2H3
InChIKeyVRFLPAQGDBCCGC-UHFFFAOYSA-N
XLogP1.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidine
CID 103341746
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine
CID 59212834
2-N,2-N-diethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine
CID 103341903
5,6-dimethyl-3-(1H-pyrrol-2-yl)pyrazin-2-amine
CID 103341831
4-ethyl-2-(1H-pyrrol-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740855
2-ethoxy-4-(1H-pyrrol-2-yl)-1,3,5-triazine
CID 57006439
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137001702
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432
4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136631027
6-methyl-3-(1H-pyrrol-2-yl)pyridine-2-carbaldehyde
CID 141419433

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine (CID 170388279) is 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine is Cc1nc(C)nc(-c2ccc[nH]2)n1.
What is the InChIKey of 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine?
The InChIKey is VRFLPAQGDBCCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-6-11-7(2)13-9(12-6)8-4-3-5-10-8/h3-5,10H,1-2H3.
What are the key properties of 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine?
2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine has a molecular weight of 174.21 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1H-pyrrol-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170388279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).