4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine

C12H16N4O2S — CID 63291908

IUPAC4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC(C)Cc2cccs2)nc(OC)n1
InChIInChI=1S/C12H16N4O2S/c1-8(7-9-5-4-6-19-9)13-10-14-11(17-2)16-12(15-10)18-3/h4-6,8H,7H2,1-3H3,(H,13,14,15,16)
InChIKeyZMDDMBUGYWKMKZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.99
Rot. Bonds6

About 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 63291908) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
PubChem CID63291908
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NC(C)Cc2cccs2)nc(OC)n1
InChIInChI=1S/C12H16N4O2S/c1-8(7-9-5-4-6-19-9)13-10-14-11(17-2)16-12(15-10)18-3/h4-6,8H,7H2,1-3H3,(H,13,14,15,16)
InChIKeyZMDDMBUGYWKMKZ-UHFFFAOYSA-N
XLogP1.99
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-methyl-6-propan-2-yloxy-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80813456
5-fluoro-4-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-amine
CID 135109642
5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80757935
6-chloro-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80829700
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
6-methoxy-4-N-methyl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773310
4-chloro-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63292587
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773315
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
methyl 2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 113307165
N-ethyl-4-methoxy-6-(2-thiophen-2-ylethoxy)-1,3,5-triazin-2-amine
CID 80873852
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine (CID 63291908) is 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine is COc1nc(NC(C)Cc2cccs2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is ZMDDMBUGYWKMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8(7-9-5-4-6-19-9)13-10-14-11(17-2)16-12(15-10)18-3/h4-6,8H,7H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63291908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).