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

C9H12N4S — CID 103324043

IUPAC4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N)nc2sccc12
InChIInChI=1S/C9H12N4S/c1-2-4-11-7-6-3-5-14-8(6)13-9(10)12-7/h3,5H,2,4H2,1H3,(H3,10,11,12,13)
InChIKeyQOJGJYOQQMIPOG-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.10
Rot. Bonds3

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

4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324043) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324043
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCNc1nc(N)nc2sccc12
InChIInChI=1S/C9H12N4S/c1-2-4-11-7-6-3-5-14-8(6)13-9(10)12-7/h3,5H,2,4H2,1H3,(H3,10,11,12,13)
InChIKeyQOJGJYOQQMIPOG-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327318
4-N-(2-methylsulfonylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325366
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222

Frequently Asked Questions

What is the IUPAC name of 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324043) is 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(N)nc2sccc12.
What is the InChIKey of 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is QOJGJYOQQMIPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-2-4-11-7-6-3-5-14-8(6)13-9(10)12-7/h3,5H,2,4H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 208.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).