2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H11Cl2N3S — CID 83191077

IUPAC2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(Cc2c(Cl)cccc2Cl)nc2c1CSC2
InChIInChI=1S/C13H11Cl2N3S/c14-9-2-1-3-10(15)7(9)4-12-17-11-6-19-5-8(11)13(16)18-12/h1-3H,4-6H2,(H2,16,17,18)
InChIKeyLLMLFMVCYXLRPA-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.70
Rot. Bonds2

About 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191077) has the molecular formula C13H11Cl2N3S and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191077
Molecular FormulaC13H11Cl2N3S
Molecular Weight312.23 g/mol
Exact Mass311.01
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(Cc2c(Cl)cccc2Cl)nc2c1CSC2
InChIInChI=1S/C13H11Cl2N3S/c14-9-2-1-3-10(15)7(9)4-12-17-11-6-19-5-8(11)13(16)18-12/h1-3H,4-6H2,(H2,16,17,18)
InChIKeyLLMLFMVCYXLRPA-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191581
2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190972
2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105450171
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191173
2-[2-(methylamino)propyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105482392
2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191391
2-[(2-fluorophenyl)sulfanylmethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189973
2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191076
4-chloro-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196977
4,6-dichloro-2-[(2,6-dichlorophenyl)methyl]-5-iodopyrimidine
CID 66316635
2-(3-bromophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189983
2-(2-bromo-4-chlorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83201182

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191077) is 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(Cc2c(Cl)cccc2Cl)nc2c1CSC2.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is LLMLFMVCYXLRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3S/c14-9-2-1-3-10(15)7(9)4-12-17-11-6-19-5-8(11)13(16)18-12/h1-3H,4-6H2,(H2,16,17,18).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 312.23 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).