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

C14H22N4S — CID 103466671

IUPAC4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(C)(C)CC)nc(N)nc2s1
InChIInChI=1S/C14H22N4S/c1-5-9-7-10-11(16-8-14(3,4)6-2)17-13(15)18-12(10)19-9/h7H,5-6,8H2,1-4H3,(H3,15,16,17,18)
InChIKeyRRBIHXWBZVDVQH-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.68
Rot. Bonds5

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

4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103466671) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103466671
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCC(C)(C)CC)nc(N)nc2s1
InChIInChI=1S/C14H22N4S/c1-5-9-7-10-11(16-8-14(3,4)6-2)17-13(15)18-12(10)19-9/h7H,5-6,8H2,1-4H3,(H3,15,16,17,18)
InChIKeyRRBIHXWBZVDVQH-UHFFFAOYSA-N
XLogP3.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324239
4-N-(2,2-dimethylbutyl)-2-N,6-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466672
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 103327283
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
6-ethyl-4-N-(furan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330480
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343217

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103466671) is 4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCC(C)(C)CC)nc(N)nc2s1.
What is the InChIKey of 4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is RRBIHXWBZVDVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-9-7-10-11(16-8-14(3,4)6-2)17-13(15)18-12(10)19-9/h7H,5-6,8H2,1-4H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.43 g/mol, XLogP of 3.68, 5 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)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103466671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).