4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine

C16H26N4S — CID 103325707

IUPAC4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(CC)CC(CC)CC)nc(N)nc2s1
InChIInChI=1S/C16H26N4S/c1-5-11(6-2)10-20(8-4)14-13-9-12(7-3)21-15(13)19-16(17)18-14/h9,11H,5-8,10H2,1-4H3,(H2,17,18,19)
InChIKeyHYVXYZSKBBUTJI-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.10
Rot. Bonds7

About 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325707) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325707
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(N(CC)CC(CC)CC)nc(N)nc2s1
InChIInChI=1S/C16H26N4S/c1-5-11(6-2)10-20(8-4)14-13-9-12(7-3)21-15(13)19-16(17)18-14/h9,11H,5-8,10H2,1-4H3,(H2,17,18,19)
InChIKeyHYVXYZSKBBUTJI-UHFFFAOYSA-N
XLogP4.10
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
CID 103325630
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329657
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475
2-N,4-N,6-triethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324646
6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324668
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320887
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
CID 103326538
6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327889
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 103326256
4-N,4-N,6-triethyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323820
6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334542

Frequently Asked Questions

What is the IUPAC name of 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103325707) is 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(N(CC)CC(CC)CC)nc(N)nc2s1.
What is the InChIKey of 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is HYVXYZSKBBUTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-5-11(6-2)10-20(8-4)14-13-9-12(7-3)21-15(13)19-16(17)18-14/h9,11H,5-8,10H2,1-4H3,(H2,17,18,19).
What are the key properties of 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 306.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).