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

C8H12N4S — CID 105450171

IUPAC2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNCc1nc(N)c2c(n1)CSC2
InChIInChI=1S/C8H12N4S/c1-10-2-7-11-6-4-13-3-5(6)8(9)12-7/h10H,2-4H2,1H3,(H2,9,11,12)
InChIKeyVHFQATDKKGDTJU-UHFFFAOYSA-N
MW196.28 g/mol
LogP0.52
Rot. Bonds2

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

2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 105450171) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID105450171
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNCc1nc(N)c2c(n1)CSC2
InChIInChI=1S/C8H12N4S/c1-10-2-7-11-6-4-13-3-5(6)8(9)12-7/h10H,2-4H2,1H3,(H2,9,11,12)
InChIKeyVHFQATDKKGDTJU-UHFFFAOYSA-N
XLogP0.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190972
2-[2-(methylamino)propyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105482392
2-(methoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191177
2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191076
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191173
2-[2-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 105482386
2-[(4-chlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191581
2-[(2,6-dichlorophenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191077
2-(2,2,2-trifluoroethoxymethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 103476351
2-[(2-fluorophenyl)sulfanylmethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189973
2-(2-methoxybutan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116777321
2-(2-methyloxolan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190424

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 105450171) is 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNCc1nc(N)c2c(n1)CSC2.
What is the InChIKey of 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is VHFQATDKKGDTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-10-2-7-11-6-4-13-3-5(6)8(9)12-7/h10H,2-4H2,1H3,(H2,9,11,12).
What are the key properties of 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 196.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 105450171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).