6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine

C8H12ClN5 — CID 80782289

IUPAC6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(Cl)n1)C1CC1
InChIInChI=1S/C8H12ClN5/c1-4(5-2-3-5)11-8-13-6(9)12-7(10)14-8/h4-5H,2-3H2,1H3,(H3,10,11,12,13,14)
InChIKeyQAQGADKZEVMZLE-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.32
Rot. Bonds3

About 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80782289) has the molecular formula C8H12ClN5 and a molecular weight of 213.67 g/mol. Its IUPAC name is 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80782289
Molecular FormulaC8H12ClN5
Molecular Weight213.67 g/mol
Exact Mass213.08
IUPAC Name6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(Cl)n1)C1CC1
InChIInChI=1S/C8H12ClN5/c1-4(5-2-3-5)11-8-13-6(9)12-7(10)14-8/h4-5H,2-3H2,1H3,(H3,10,11,12,13,14)
InChIKeyQAQGADKZEVMZLE-UHFFFAOYSA-N
XLogP1.32
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80780773
6-chloro-4-N-[(1R)-1-cyclopropylethyl]-2-N-(2-cyclopropylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 135243425
2-N-(1-cyclopentylethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80835106
2-N-[(1R)-1-cyclohexylethyl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
CID 129364008
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80779012
2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 155016973
6-bromo-2-N-(1-cyclopropylethyl)pyrimidine-2,4-diamine
CID 116795502
6-chloro-2-N-cyclobutyl-1,3,5-triazine-2,4-diamine
CID 80827381
6-chloro-2-N-cyclopentyl-1,3,5-triazine-2,4-diamine
CID 11970858
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
6-chloro-2-N-(4-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 80773525
2-N-(1-cyclohexylethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80801599

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine (CID 80782289) is 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(Cl)n1)C1CC1.
What is the InChIKey of 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QAQGADKZEVMZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN5/c1-4(5-2-3-5)11-8-13-6(9)12-7(10)14-8/h4-5H,2-3H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 213.67 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(1-cyclopropylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80782289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).