2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine

C11H13ClN6 — CID 55125230

IUPAC2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCC1CCCN1c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H13ClN6/c1-8-3-2-5-18(8)11-15-9(12)14-10(16-11)17-6-4-13-7-17/h4,6-8H,2-3,5H2,1H3
InChIKeyNACIGUAURNGFQF-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.70
Rot. Bonds2

About 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine

2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine (PubChem CID 55125230) has the molecular formula C11H13ClN6 and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
PubChem CID55125230
Molecular FormulaC11H13ClN6
Molecular Weight264.72 g/mol
Exact Mass264.09
IUPAC Name2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCC1CCCN1c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H13ClN6/c1-8-3-2-5-18(8)11-15-9(12)14-10(16-11)17-6-4-13-7-17/h4,6-8H,2-3,5H2,1H3
InChIKeyNACIGUAURNGFQF-UHFFFAOYSA-N
XLogP1.70
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
2-chloro-4,6-bis[(2S)-2-methylpiperidin-1-yl]-1,3,5-triazine
CID 11893825
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-chloro-4-(3,4-dimethylpiperazin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 63605104
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
2-chloro-4-imidazol-1-yl-6-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087
4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 62865097
4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80826985
4,6-dichloro-2-[(2S)-2-methylpyrrolidin-1-yl]pyrimidine
CID 59168274
[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
CID 62864398
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80798127
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864577

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine (CID 55125230) is 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine is CC1CCCN1c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine?
The InChIKey is NACIGUAURNGFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6/c1-8-3-2-5-18(8)11-15-9(12)14-10(16-11)17-6-4-13-7-17/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine has a molecular weight of 264.72 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 55125230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).