6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine

C8H12ClN5 — CID 11970858

IUPAC6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CCCC2)n1
InChIInChI=1S/C8H12ClN5/c9-6-12-7(10)14-8(13-6)11-5-3-1-2-4-5/h5H,1-4H2,(H3,10,11,12,13,14)
InChIKeyAMEQGMVFTOUTHW-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.46
Rot. Bonds2

About 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine (PubChem CID 11970858) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
PubChem CID11970858
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Cl)nc(NC2CCCC2)n1
InChIInChI=1S/C8H12ClN5/c9-6-12-7(10)14-8(13-6)11-5-3-1-2-4-5/h5H,1-4H2,(H3,10,11,12,13,14)
InChIKeyAMEQGMVFTOUTHW-UHFFFAOYSA-N
XLogP1.46
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
4,6-dichloro-N-cyclobutyl-1,3,5-triazin-2-amine
CID 62868732
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
6-chloro-2-N-(2-cyclopentyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 80846277
2-N-cyclopropyl-1,3,5-triazine-2,4,6-triamine;dihydrochloride
CID 23338975
4-chloro-N,6-di(cycloundecyl)-1,3,5-triazin-2-amine
CID 167222890
4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870590
6-(2-chloroethyl)-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 130568334
6-chloro-2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 44627401
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 758948
2-N-cyclohexyl-6-ethyl-1,3,5-triazine-2,4-diamine
CID 91621401

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine (CID 11970858) is 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine is Nc1nc(Cl)nc(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AMEQGMVFTOUTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5/c9-6-12-7(10)14-8(13-6)11-5-3-1-2-4-5/h5H,1-4H2,(H3,10,11,12,13,14).
What are the key properties of 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine has a molecular weight of 213.67 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11970858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).