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

C10H17N5S — CID 11970861

IUPAC2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCC2)nc(SC)n1
InChIInChI=1S/C10H17N5S/c1-11-8-13-9(15-10(14-8)16-2)12-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyWYGJZAZXEXPVSU-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.99
Rot. Bonds4

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

2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 11970861) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID11970861
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCC2)nc(SC)n1
InChIInChI=1S/C10H17N5S/c1-11-8-13-9(15-10(14-8)16-2)12-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyWYGJZAZXEXPVSU-UHFFFAOYSA-N
XLogP1.99
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ametryn
CID 13263
Terbutryn
CID 13450
Prometryn
CID 4929
Irgarol
CID 91590
Desmetryn
CID 13904
Dimethametryn
CID 31573
Dipropetryn
CID 20105
Deethylametryne
CID 608030
Simetryn-sulfonium
CID 177546092
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-(1-methylethyl)-N'-propyl-
CID 190519
1,3,5-Triazine-2,4-diamine, N-butyl-6-((difluoromethyl)thio)-N'-(1-methylethyl)-
CID 190522
1,3,5-Triazine,2-difluoromethio-4-amylamino-6-et
CID 15595043

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 11970861) is 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CCCC2)nc(SC)n1.
What is the InChIKey of 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WYGJZAZXEXPVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-11-8-13-9(15-10(14-8)16-2)12-7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 239.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11970861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).