2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H15N5S — CID 103324453

IUPAC2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ccncc2)c2ccsc2n1
InChIInChI=1S/C14H15N5S/c1-2-16-14-18-12(11-5-8-20-13(11)19-14)17-9-10-3-6-15-7-4-10/h3-8H,2,9H2,1H3,(H2,16,17,18,19)
InChIKeyMEMWAVFHYVLNGH-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.13
Rot. Bonds5

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

2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324453) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324453
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ccncc2)c2ccsc2n1
InChIInChI=1S/C14H15N5S/c1-2-16-14-18-12(11-5-8-20-13(11)19-14)17-9-10-3-6-15-7-4-10/h3-8H,2,9H2,1H3,(H2,16,17,18,19)
InChIKeyMEMWAVFHYVLNGH-UHFFFAOYSA-N
XLogP3.13
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327305
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411915
N-[2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
CID 103325026
2-N-ethyl-4-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106296189
N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 55044626
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324453) is 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCc2ccncc2)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MEMWAVFHYVLNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-2-16-14-18-12(11-5-8-20-13(11)19-14)17-9-10-3-6-15-7-4-10/h3-8H,2,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 285.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).