2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C12H21N5S — CID 163588640

IUPAC2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NCCC(C)C)nc(NC2CC2)n1
InChIInChI=1S/C12H21N5S/c1-8(2)6-7-13-10-15-11(14-9-4-5-9)17-12(16-10)18-3/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyGNQPIPGGEJEDMZ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.63
Rot. Bonds7

About 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 163588640) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID163588640
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NCCC(C)C)nc(NC2CC2)n1
InChIInChI=1S/C12H21N5S/c1-8(2)6-7-13-10-15-11(14-9-4-5-9)17-12(16-10)18-3/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyGNQPIPGGEJEDMZ-UHFFFAOYSA-N
XLogP2.63
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.63
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
Deethylametryne
CID 608030
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
Terbutryn D5 (ethyl D5)
CID 101747075
Prometryn-d14 (di-iso-propyl-d14)
CID 167995485
1,3,5-Triazine, 2-diethylamino-4-isopropylamino-6-methylthio-
CID 15560365

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 163588640) is 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CSc1nc(NCCC(C)C)nc(NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GNQPIPGGEJEDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-8(2)6-7-13-10-15-11(14-9-4-5-9)17-12(16-10)18-3/h8-9H,4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.40 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-(3-methylbutyl)-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163588640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).