N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H14N4S — CID 83191494

IUPACN-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2cccnc2)nc2c1CSC2
InChIInChI=1S/C13H14N4S/c1-14-13-10-7-18-8-11(10)16-12(17-13)5-9-3-2-4-15-6-9/h2-4,6H,5,7-8H2,1H3,(H,14,16,17)
InChIKeyXCQWANDAXKMSOA-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191494) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191494
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC NameN-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCNc1nc(Cc2cccnc2)nc2c1CSC2
InChIInChI=1S/C13H14N4S/c1-14-13-10-7-18-8-11(10)16-12(17-13)5-9-3-2-4-15-6-9/h2-4,6H,5,7-8H2,1H3,(H,14,16,17)
InChIKeyXCQWANDAXKMSOA-UHFFFAOYSA-N
XLogP2.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83189907
2-benzyl-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190571
N-ethyl-2-[(3-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193116
2-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191391
N-ethyl-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191304
2-ethyl-N,5-dimethyl-6-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 104737212
6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
[2-[(2-methoxyphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201588
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
[6-ethyl-5-methyl-2-(pyridin-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 63559686
4-chloro-2-[(3-methylphenyl)methyl]-5,7-dihydrothieno[3,4-d]pyrimidine
CID 83196977
N-methyl-2-(pyridin-4-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351344

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191494) is N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CNc1nc(Cc2cccnc2)nc2c1CSC2.
What is the InChIKey of N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is XCQWANDAXKMSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-14-13-10-7-18-8-11(10)16-12(17-13)5-9-3-2-4-15-6-9/h2-4,6H,5,7-8H2,1H3,(H,14,16,17).
What are the key properties of N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 258.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pyridin-3-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).