N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine

C11H18N4S2 — CID 80796529

IUPACN-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CCCSCC2)nc(SC)n1
InChIInChI=1S/C11H18N4S2/c1-12-9-8-10(14-11(13-9)16-2)15-4-3-6-17-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyAZXFFHJTDIVAAJ-UHFFFAOYSA-N
MW270.43 g/mol
LogP2.18
Rot. Bonds3

About N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine

N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine (PubChem CID 80796529) has the molecular formula C11H18N4S2 and a molecular weight of 270.43 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
PubChem CID80796529
Molecular FormulaC11H18N4S2
Molecular Weight270.43 g/mol
Exact Mass270.10
IUPAC NameN-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
SMILESCNc1cc(N2CCCSCC2)nc(SC)n1
InChIInChI=1S/C11H18N4S2/c1-12-9-8-10(14-11(13-9)16-2)15-4-3-6-17-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyAZXFFHJTDIVAAJ-UHFFFAOYSA-N
XLogP2.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
4-N-methyl-6-thiomorpholin-4-ylpyrimidine-2,4-diamine
CID 80765741
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80796740
N-methyl-2-methylsulfanyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80835888
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
6-(1,3-dihydroisoindol-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80822675
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80834108
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80854581

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine (CID 80796529) is N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine is CNc1cc(N2CCCSCC2)nc(SC)n1.
What is the InChIKey of N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The InChIKey is AZXFFHJTDIVAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S2/c1-12-9-8-10(14-11(13-9)16-2)15-4-3-6-17-7-5-15/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine has a molecular weight of 270.43 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80796529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).