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

C11H13ClN6 — CID 62865112

IUPAC2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCC1CCN(c2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C11H13ClN6/c1-8-2-4-17(6-8)10-14-9(12)15-11(16-10)18-5-3-13-7-18/h3,5,7-8H,2,4,6H2,1H3
InChIKeyPNBTXAPRFGANFV-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.56
Rot. Bonds2

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

2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine (PubChem CID 62865112) 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-(3-methylpyrrolidin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
PubChem CID62865112
Molecular FormulaC11H13ClN6
Molecular Weight264.72 g/mol
Exact Mass264.09
IUPAC Name2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
SMILESCC1CCN(c2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C11H13ClN6/c1-8-2-4-17(6-8)10-14-9(12)15-11(16-10)18-5-3-13-7-18/h3,5,7-8H,2,4,6H2,1H3
InChIKeyPNBTXAPRFGANFV-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(3,4,5-trimethylpiperazin-1-yl)-1,3,5-triazine
CID 114539087
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
[4-imidazol-1-yl-6-(3-methylpiperidin-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80927857
[1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]methanol
CID 62864398
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
1-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62869313
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazine
CID 62863717
4-(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102891460
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine (CID 62865112) is 2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine is CC1CCN(c2nc(Cl)nc(-n3ccnc3)n2)C1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine?
The InChIKey is PNBTXAPRFGANFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6/c1-8-2-4-17(6-8)10-14-9(12)15-11(16-10)18-5-3-13-7-18/h3,5,7-8H,2,4,6H2,1H3.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine has a molecular weight of 264.72 g/mol, XLogP of 1.56, 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-(3-methylpyrrolidin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62865112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).