6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C14H16N4OS — CID 103327265

IUPAC6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3ccc(C)o3)nc(N)nc2s1
InChIInChI=1S/C14H16N4OS/c1-3-10-6-11-12(17-14(15)18-13(11)20-10)16-7-9-5-4-8(2)19-9/h4-6H,3,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyZZGNNYLMXRYDTM-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.35
Rot. Bonds4

About 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327265) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327265
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCc3ccc(C)o3)nc(N)nc2s1
InChIInChI=1S/C14H16N4OS/c1-3-10-6-11-12(17-14(15)18-13(11)20-10)16-7-9-5-4-8(2)19-9/h4-6H,3,7H2,1-2H3,(H3,15,16,17,18)
InChIKeyZZGNNYLMXRYDTM-UHFFFAOYSA-N
XLogP3.35
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
6-ethyl-4-N-(furan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330480
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
4-N-[(3-bromophenyl)methyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325532
6-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411895
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
6-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424249
4-N-(2-bromo-5-methylphenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329440

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 103327265) is 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCc3ccc(C)o3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is ZZGNNYLMXRYDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-10-6-11-12(17-14(15)18-13(11)20-10)16-7-9-5-4-8(2)19-9/h4-6H,3,7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 288.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-[(5-methylfuran-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).