2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C12H12ClN3S2 — CID 114268192

IUPAC2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1ccsc1)c1nc(Cl)nc2c1SCC2
InChIInChI=1S/C12H12ClN3S2/c1-16(6-8-2-4-17-7-8)11-10-9(3-5-18-10)14-12(13)15-11/h2,4,7H,3,5-6H2,1H3
InChIKeyQSDFSBLWMIBCDK-UHFFFAOYSA-N
MW297.84 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 114268192) has the molecular formula C12H12ClN3S2 and a molecular weight of 297.84 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID114268192
Molecular FormulaC12H12ClN3S2
Molecular Weight297.84 g/mol
Exact Mass297.02
IUPAC Name2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCN(Cc1ccsc1)c1nc(Cl)nc2c1SCC2
InChIInChI=1S/C12H12ClN3S2/c1-16(6-8-2-4-17-7-8)11-10-9(3-5-18-10)14-12(13)15-11/h2,4,7H,3,5-6H2,1H3
InChIKeyQSDFSBLWMIBCDK-UHFFFAOYSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.84
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781146
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63730106
2-chloro-N-cycloheptyl-N-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 114268199
4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055137
5-(chloromethyl)-N,3-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80628754
5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622630
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)quinazoline-2,4-diamine
CID 80774533
2-chloro-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 83072800
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 133383518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 114268192) is 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is CN(Cc1ccsc1)c1nc(Cl)nc2c1SCC2.
What is the InChIKey of 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QSDFSBLWMIBCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S2/c1-16(6-8-2-4-17-7-8)11-10-9(3-5-18-10)14-12(13)15-11/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 297.84 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(thiophen-3-ylmethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114268192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).