4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine

C13H12N4S — CID 103324222

IUPAC4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C13H12N4S/c14-13-16-11(10-6-7-18-12(10)17-13)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,14,15,16,17)
InChIKeyNSDKOISXZDPKNC-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.89
Rot. Bonds3

About 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324222) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324222
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C13H12N4S/c14-13-16-11(10-6-7-18-12(10)17-13)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,14,15,16,17)
InChIKeyNSDKOISXZDPKNC-UHFFFAOYSA-N
XLogP2.89
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
4-N-[(6-methyl-2-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327165
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327697
N-benzyl-2-(2-methylbenzimidazol-1-yl)thieno[2,3-d]pyrimidin-4-amine
CID 118331920
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
4-N-[(1-methylpyrazol-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329463
4-N-[(4-methyl-3-pyridinyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330752
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103329348

Frequently Asked Questions

What is the IUPAC name of 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324222) is 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(NCc2ccccc2)c2ccsc2n1.
What is the InChIKey of 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is NSDKOISXZDPKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-13-16-11(10-6-7-18-12(10)17-13)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,14,15,16,17).
What are the key properties of 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 256.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).