4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine

C12H21N5O3S — CID 102887642

IUPAC4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C12H21N5O3S/c1-4-5-13-10-14-11(16-12(15-10)20-3)17-6-7-21(18,19)8-9(17)2/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyKTBAIZZBAQZXOT-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.33
Rot. Bonds5

About 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine

4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 102887642) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID102887642
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(N2CCS(=O)(=O)CC2C)n1
InChIInChI=1S/C12H21N5O3S/c1-4-5-13-10-14-11(16-12(15-10)20-3)17-6-7-21(18,19)8-9(17)2/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyKTBAIZZBAQZXOT-UHFFFAOYSA-N
XLogP0.33
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80793176
4-methoxy-6-(1-oxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80804877
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 102887749
4-(3,3-dimethylmorpholin-4-yl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80796266
4-[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]-3-methylpiperazin-2-one
CID 80817195
4-N,4-N-diethyl-6-(2-methylpyrrolidin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774325
4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62858145
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80813901
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine (CID 102887642) is 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(N2CCS(=O)(=O)CC2C)n1.
What is the InChIKey of 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is KTBAIZZBAQZXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-4-5-13-10-14-11(16-12(15-10)20-3)17-6-7-21(18,19)8-9(17)2/h9H,4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine?
4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 315.40 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 102887642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).