4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine

C16H26N4S — CID 103466672

IUPAC4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC(C)(C)CC)c2cc(CC)sc2n1
InChIInChI=1S/C16H26N4S/c1-6-11-9-12-13(18-10-16(4,5)7-2)19-15(17-8-3)20-14(12)21-11/h9H,6-8,10H2,1-5H3,(H2,17,18,19,20)
InChIKeyJJFKUUKSNUQIQI-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.53
Rot. Bonds7

About 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103466672) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103466672
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC(C)(C)CC)c2cc(CC)sc2n1
InChIInChI=1S/C16H26N4S/c1-6-11-9-12-13(18-10-16(4,5)7-2)19-15(17-8-3)20-14(12)21-11/h9H,6-8,10H2,1-5H3,(H2,17,18,19,20)
InChIKeyJJFKUUKSNUQIQI-UHFFFAOYSA-N
XLogP4.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
4-N,6-diethyl-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324155
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
1-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-3-ol
CID 103330320
[1-[[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 103329341
2-[2-[[6-ethyl-2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 103327253
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
N-(2-ethoxy-2-methylpropyl)-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335867
3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106179605
6-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324044
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324239
N,6-diethyl-4-(3-methylbutan-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765560

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103466672) is 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCC(C)(C)CC)c2cc(CC)sc2n1.
What is the InChIKey of 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JJFKUUKSNUQIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-6-11-9-12-13(18-10-16(4,5)7-2)19-15(17-8-3)20-14(12)21-11/h9H,6-8,10H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 306.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103466672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).