4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H22N4OS — CID 80889092

IUPAC4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(SCC2CCCC2)n1
InChIInChI=1S/C13H22N4OS/c1-9(2)18-12-15-11(14-3)16-13(17-12)19-8-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyNWELVTFCKQSNDQ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.98
Rot. Bonds6

About 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80889092) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80889092
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(SCC2CCCC2)n1
InChIInChI=1S/C13H22N4OS/c1-9(2)18-12-15-11(14-3)16-13(17-12)19-8-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,15,16,17)
InChIKeyNWELVTFCKQSNDQ-UHFFFAOYSA-N
XLogP2.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885885
2-N-(2-cyclopentyloxyethyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80820286
2-N-cyclohexyl-2-N,4-N-dimethyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80762337
3-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 106138430
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890838
2-N-(4-ethylcyclohexyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80782197
2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80836368
2-N-(cyclopropylmethyl)-2-N-ethyl-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80840106
2-N,4-N-dimethyl-2-N-(oxan-3-ylmethyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80818463
5-[[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]methyl]pyrrolidin-2-one
CID 80837784
4-N-methyl-2-N-(oxan-3-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830426
4-(1-methoxypropan-2-yloxy)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80880228

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80889092) is 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(SCC2CCCC2)n1.
What is the InChIKey of 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is NWELVTFCKQSNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(2)18-12-15-11(14-3)16-13(17-12)19-8-10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,15,16,17).
What are the key properties of 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 282.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylsulfanyl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80889092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).