6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C13H16ClN5S — CID 62863221

IUPAC6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C13H16ClN5S/c1-18(2)12-15-11(14)16-13(17-12)19(9-5-6-9)8-10-4-3-7-20-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyFRQGTUZQZYPVEN-UHFFFAOYSA-N
MW309.83 g/mol
LogP2.82
Rot. Bonds5

About 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 62863221) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID62863221
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC Name6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(N(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C13H16ClN5S/c1-18(2)12-15-11(14)16-13(17-12)19(9-5-6-9)8-10-4-3-7-20-10/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeyFRQGTUZQZYPVEN-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carboxylic acid
CID 113387731
N,3-dicyclopropyl-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133335275
5-chloro-N-cyclopropyl-6-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62288900
[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61449696
5-(chloromethyl)-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 114215437
3-bromo-5-chloro-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114836834
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123
N-cyclopropyl-5,5-dimethyl-N-(thiophen-2-ylmethyl)-4,6-dihydro-1H-pyrimidin-2-amine
CID 114277193
N-cyclopropyl-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 133350927
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
5-chloro-4-(chloromethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114920935
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 62863221) is 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(N(Cc2cccs2)C2CC2)n1.
What is the InChIKey of 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FRQGTUZQZYPVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c1-18(2)12-15-11(14)16-13(17-12)19(9-5-6-9)8-10-4-3-7-20-10/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 309.83 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclopropyl-4-N,4-N-dimethyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62863221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).