3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol

C12H23N5O2S — CID 106163511

IUPAC3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCNc1nc(NC(C)C(CO)SC)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-7(2)19-12-16-10(13-4)15-11(17-12)14-8(3)9(6-18)20-5/h7-9,18H,6H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyUWRXFPCWUQMEMS-UHFFFAOYSA-N
MW301.42 g/mol
LogP1.22
Rot. Bonds8

About 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol

3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163511) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163511
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCNc1nc(NC(C)C(CO)SC)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-7(2)19-12-16-10(13-4)15-11(17-12)14-8(3)9(6-18)20-5/h7-9,18H,6H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyUWRXFPCWUQMEMS-UHFFFAOYSA-N
XLogP1.22
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106159136
4-N-methyl-2-N-(4-methylhexan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80847578
2-[2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827070
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163716
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890838
(2S)-2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80922548
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-methylsulfanylbutan-1-ol
CID 113239917
N-ethyl-N-methyl-2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]propanamide
CID 103113878
3,3-dimethyl-4-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 106149849
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163392
2-N-(1-cyclopropylbutan-2-yl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80836368
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80910560

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol (CID 106163511) is 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol is CNc1nc(NC(C)C(CO)SC)nc(OC(C)C)n1.
What is the InChIKey of 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is UWRXFPCWUQMEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-7(2)19-12-16-10(13-4)15-11(17-12)14-8(3)9(6-18)20-5/h7-9,18H,6H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol?
3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 301.42 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).