4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H14N4S2 — CID 103325687

IUPAC4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N(Cc2ccsc2)C2CC2)c2ccsc2n1
InChIInChI=1S/C14H14N4S2/c15-14-16-12(11-4-6-20-13(11)17-14)18(10-1-2-10)7-9-3-5-19-8-9/h3-6,8,10H,1-2,7H2,(H2,15,16,17)
InChIKeyCZQIMTFTXTVHFM-UHFFFAOYSA-N
MW302.43 g/mol
LogP3.50
Rot. Bonds4

About 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325687) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325687
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N(Cc2ccsc2)C2CC2)c2ccsc2n1
InChIInChI=1S/C14H14N4S2/c15-14-16-12(11-4-6-20-13(11)17-14)18(10-1-2-10)7-9-3-5-19-8-9/h3-6,8,10H,1-2,7H2,(H2,15,16,17)
InChIKeyCZQIMTFTXTVHFM-UHFFFAOYSA-N
XLogP3.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 56799553
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 103326449
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
8-N-cyclopropyl-8-N-(thiophen-3-ylmethyl)isoquinoline-5,8-diamine
CID 103137550
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
CID 80779786
4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325226
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine
CID 61433950
6-chloro-N-cyclopropyl-2,5-dimethyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63729453
N-cyclopropyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335410

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103325687) is 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N(Cc2ccsc2)C2CC2)c2ccsc2n1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CZQIMTFTXTVHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c15-14-16-12(11-4-6-20-13(11)17-14)18(10-1-2-10)7-9-3-5-19-8-9/h3-6,8,10H,1-2,7H2,(H2,15,16,17).
What are the key properties of 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).