4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine

C13H14ClN5 — CID 138974253

IUPAC4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCN2c2ccccc2)n1
InChIInChI=1S/C13H14ClN5/c14-12-16-11(17-13(15)18-12)10-7-4-8-19(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,15,16,17,18)
InChIKeyVWVBEOUCIOWNSR-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.45
Rot. Bonds2

About 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine

4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine (PubChem CID 138974253) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine
PubChem CID138974253
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C2CCCN2c2ccccc2)n1
InChIInChI=1S/C13H14ClN5/c14-12-16-11(17-13(15)18-12)10-7-4-8-19(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,15,16,17,18)
InChIKeyVWVBEOUCIOWNSR-UHFFFAOYSA-N
XLogP2.45
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-cyclooctyl-1,3,5-triazin-2-amine
CID 83241557
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
4-chloro-6-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 83240330
4-cyclopropyl-6-(2,3-dihydro-1H-inden-2-yl)-1,3,5-triazin-2-amine
CID 65404523
6-(1-phenylpyrrolidin-2-yl)quinoline
CID 138973287
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
1,2-diphenylpyrrolidine;ethanol
CID 67627522
2-methyl-4-(1-phenylpyrrolidin-2-yl)pyridine
CID 138975238
1-phenyl-N-(1-phenylpyrrolidin-2-yl)pyrrolidin-2-amine
CID 175548020
2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944954
N-[4-(1-phenylpyrrolidin-2-yl)-1,3-thiazol-2-yl]formamide
CID 162743697
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 82752450

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine (CID 138974253) is 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C2CCCN2c2ccccc2)n1.
What is the InChIKey of 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is VWVBEOUCIOWNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-12-16-11(17-13(15)18-12)10-7-4-8-19(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,15,16,17,18).
What are the key properties of 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 275.74 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-phenylpyrrolidin-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 138974253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).