N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C14H19N3S2 — CID 80638956

IUPACN-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CCCS2)nc2sc(C)c(C)c12
InChIInChI=1S/C14H19N3S2/c1-4-15-13-11-8(2)9(3)19-14(11)17-12(16-13)10-6-5-7-18-10/h10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyKAXZNZACSLUEKM-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.31
Rot. Bonds3

About N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 80638956) has the molecular formula C14H19N3S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID80638956
Molecular FormulaC14H19N3S2
Molecular Weight293.46 g/mol
Exact Mass293.10
IUPAC NameN-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CCCS2)nc2sc(C)c(C)c12
InChIInChI=1S/C14H19N3S2/c1-4-15-13-11-8(2)9(3)19-14(11)17-12(16-13)10-6-5-7-18-10/h10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyKAXZNZACSLUEKM-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65404241
2-cyclooctyl-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 80611910
(2-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 62250283
(2-cycloheptyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 65399665
2-(4,4-dimethylcyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 65391851
N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987762
N-ethyl-3-(thiolan-2-yl)-1,2,4-thiadiazol-5-amine
CID 80638484
6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638386
N-methyl-2-(thian-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 80630916
N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 116633151
2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106815207
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 80638956) is N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(C2CCCS2)nc2sc(C)c(C)c12.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KAXZNZACSLUEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S2/c1-4-15-13-11-8(2)9(3)19-14(11)17-12(16-13)10-6-5-7-18-10/h10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.46 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 80638956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).