4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C13H18N4S — CID 107421156

IUPAC4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC1CCCC1CNc1nc(N)nc2sccc12
InChIInChI=1S/C13H18N4S/c1-8-3-2-4-9(8)7-15-11-10-5-6-18-12(10)17-13(14)16-11/h5-6,8-9H,2-4,7H2,1H3,(H3,14,15,16,17)
InChIKeyDPENSDKSOXZBHH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.12
Rot. Bonds3

About 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 107421156) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID107421156
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC1CCCC1CNc1nc(N)nc2sccc12
InChIInChI=1S/C13H18N4S/c1-8-3-2-4-9(8)7-15-11-10-5-6-18-12(10)17-13(14)16-11/h5-6,8-9H,2-4,7H2,1H3,(H3,14,15,16,17)
InChIKeyDPENSDKSOXZBHH-UHFFFAOYSA-N
XLogP3.12
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103328665
[2-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328659
4-N-[(1-ethylpyrrolidin-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325288
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-2,4-diamine
CID 80815292
3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103480
6-methyl-2-N-[(2-methylcyclopentyl)methyl]pyridine-2,3-diamine
CID 107416531
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
2-N-ethyl-4-N-(2-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327686
2-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103328656

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 107421156) is 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CC1CCCC1CNc1nc(N)nc2sccc12.
What is the InChIKey of 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DPENSDKSOXZBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-8-3-2-4-9(8)7-15-11-10-5-6-18-12(10)17-13(14)16-11/h5-6,8-9H,2-4,7H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 107421156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).