4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C14H25N5OS — CID 107460274

IUPAC4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(N2CCSC(C)(C)CC2)n1
InChIInChI=1S/C14H25N5OS/c1-10(2)20-13-17-11(15-5)16-12(18-13)19-7-6-14(3,4)21-9-8-19/h10H,6-9H2,1-5H3,(H,15,16,17,18)
InChIKeyIVTIYTRUQQGGMD-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.42
Rot. Bonds4

About 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 107460274) has the molecular formula C14H25N5OS and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID107460274
Molecular FormulaC14H25N5OS
Molecular Weight311.45 g/mol
Exact Mass311.18
IUPAC Name4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCNc1nc(OC(C)C)nc(N2CCSC(C)(C)CC2)n1
InChIInChI=1S/C14H25N5OS/c1-10(2)20-13-17-11(15-5)16-12(18-13)19-7-6-14(3,4)21-9-8-19/h10H,6-9H2,1-5H3,(H,15,16,17,18)
InChIKeyIVTIYTRUQQGGMD-UHFFFAOYSA-N
XLogP2.42
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

[4-(4,4-dimethylpiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-yl]hydrazine
CID 80919495
4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80823839
N-methyl-4-(4-methylpentan-2-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844224
1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409062
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80854586
2-[1-[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 114802852
(4-piperazin-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)hydrazine
CID 80917805
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 107460148
4-N-methyl-2-N-[(1-methylcyclopropyl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 114102497
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol
CID 103357380
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767737
2-[4-(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperazin-1-yl]ethanol
CID 80898063

Frequently Asked Questions

What is the IUPAC name of 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 107460274) is 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CNc1nc(OC(C)C)nc(N2CCSC(C)(C)CC2)n1.
What is the InChIKey of 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is IVTIYTRUQQGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-10(2)20-13-17-11(15-5)16-12(18-13)19-7-6-14(3,4)21-9-8-19/h10H,6-9H2,1-5H3,(H,15,16,17,18).
What are the key properties of 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 311.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 107460274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).