2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C16H26N4S — CID 103327956

IUPAC2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)C(CC)CC)c2cc(C)sc2n1
InChIInChI=1S/C16H26N4S/c1-6-12(7-2)11(5)18-14-13-9-10(4)21-15(13)20-16(19-14)17-8-3/h9,11-12H,6-8H2,1-5H3,(H2,17,18,19,20)
InChIKeyDDHRBSSSLYOGBR-UHFFFAOYSA-N
MW306.48 g/mol
LogP4.67
Rot. Bonds7

About 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327956) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327956
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC(C)C(CC)CC)c2cc(C)sc2n1
InChIInChI=1S/C16H26N4S/c1-6-12(7-2)11(5)18-14-13-9-10(4)21-15(13)20-16(19-14)17-8-3/h9,11-12H,6-8H2,1-5H3,(H2,17,18,19,20)
InChIKeyDDHRBSSSLYOGBR-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
4-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329470
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
2-N-ethyl-6-methyl-4-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328336
2-N-ethyl-4-N-(4-ethylsulfanylbutan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330541
2-N-ethyl-6-methyl-4-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329962
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103327956) is 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC(C)C(CC)CC)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is DDHRBSSSLYOGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-6-12(7-2)11(5)18-14-13-9-10(4)21-15(13)20-16(19-14)17-8-3/h9,11-12H,6-8H2,1-5H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 306.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).