2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C8H11N3OS — CID 83191177

IUPAC2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCOCc1nc(N)c2c(n1)CSC2
InChIInChI=1S/C8H11N3OS/c1-12-2-7-10-6-4-13-3-5(6)8(9)11-7/h2-4H2,1H3,(H2,9,10,11)
InChIKeyLOCCPBVBGMBBIJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.95
Rot. Bonds2

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

2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191177) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191177
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCOCc1nc(N)c2c(n1)CSC2
InChIInChI=1S/C8H11N3OS/c1-12-2-7-10-6-4-13-3-5(6)8(9)11-7/h2-4H2,1H3,(H2,9,10,11)
InChIKeyLOCCPBVBGMBBIJ-UHFFFAOYSA-N
XLogP0.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-6-methyl-2-(1,4-oxathian-2-yl)pyrimidin-4-amine
CID 79968816
N-methyl-2-(3,3,3-trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190770
2-(3,3,3-Trifluoropropyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190864
2-(2,2,2-Trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190868
N-methyl-2-(2,2,2-trifluoroethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191096
2-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150485
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150486
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150487
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150488
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150489
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103150490
4-Chloro-2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidine
CID 103473598

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191177) is 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is COCc1nc(N)c2c(n1)CSC2.
What is the InChIKey of 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is LOCCPBVBGMBBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-12-2-7-10-6-4-13-3-5(6)8(9)11-7/h2-4H2,1H3,(H2,9,10,11).
What are the key properties of 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 197.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).