4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C13H18N4S — CID 103327918

IUPAC4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC1(CNc2nc(N)nc3sccc23)CCCC1
InChIInChI=1S/C13H18N4S/c1-13(5-2-3-6-13)8-15-10-9-4-7-18-11(9)17-12(14)16-10/h4,7H,2-3,5-6,8H2,1H3,(H3,14,15,16,17)
InChIKeyAIXCDPYTSKRDGJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.27
Rot. Bonds3

About 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327918) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327918
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC1(CNc2nc(N)nc3sccc23)CCCC1
InChIInChI=1S/C13H18N4S/c1-13(5-2-3-6-13)8-15-10-9-4-7-18-11(9)17-12(14)16-10/h4,7H,2-3,5-6,8H2,1H3,(H3,14,15,16,17)
InChIKeyAIXCDPYTSKRDGJ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(2-methyloxolan-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329026
[1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 103329348
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
3-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-methyloxolan-3-ol
CID 106103480
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
4-N-[(2-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107421156
N-[(1-methylcyclopentyl)methyl]thieno[3,2-c]pyridin-4-amine
CID 55261967
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327697
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-(3,3-dimethylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330666

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327918) is 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CC1(CNc2nc(N)nc3sccc23)CCCC1.
What is the InChIKey of 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is AIXCDPYTSKRDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-13(5-2-3-6-13)8-15-10-9-4-7-18-11(9)17-12(14)16-10/h4,7H,2-3,5-6,8H2,1H3,(H3,14,15,16,17).
What are the key properties of 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).