N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

C13H12N4S — CID 114701023

IUPACN-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cnccc1CNc1ncnc2sccc12
InChIInChI=1S/C13H12N4S/c1-9-6-14-4-2-10(9)7-15-12-11-3-5-18-13(11)17-8-16-12/h2-6,8H,7H2,1H3,(H,15,16,17)
InChIKeyBJYPMWCHXMNQFL-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.01
Rot. Bonds3

About N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine

N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 114701023) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID114701023
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cnccc1CNc1ncnc2sccc12
InChIInChI=1S/C13H12N4S/c1-9-6-14-4-2-10(9)7-15-12-11-3-5-18-13(11)17-8-16-12/h2-6,8H,7H2,1H3,(H,15,16,17)
InChIKeyBJYPMWCHXMNQFL-UHFFFAOYSA-N
XLogP3.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79529237
N-[(3-methyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114700770
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330752
N-[(2,3,4-trimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 75493496
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
N-[(2-methyl-3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103111831
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 49430878
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133342162
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]isoquinolin-1-amine
CID 106539986
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 114701023) is N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1cnccc1CNc1ncnc2sccc12.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BJYPMWCHXMNQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-9-6-14-4-2-10(9)7-15-12-11-3-5-18-13(11)17-8-16-12/h2-6,8H,7H2,1H3,(H,15,16,17).
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114701023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).