2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4S — CID 103325135

IUPAC2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C(CC)CC)c2ccsc2n1
InChIInChI=1S/C14H22N4S/c1-5-10(6-2)18(4)12-11-8-9-19-13(11)17-14(16-12)15-7-3/h8-10H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIWNMSANFTKTJCP-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.75
Rot. Bonds6

About 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103325135) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103325135
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(C)C(CC)CC)c2ccsc2n1
InChIInChI=1S/C14H22N4S/c1-5-10(6-2)18(4)12-11-8-9-19-13(11)17-14(16-12)15-7-3/h8-10H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyIWNMSANFTKTJCP-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329656
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330872
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327415
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
CID 103326416
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106918645
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 103326361

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103325135) is 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N(C)C(CC)CC)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is IWNMSANFTKTJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-5-10(6-2)18(4)12-11-8-9-19-13(11)17-14(16-12)15-7-3/h8-10H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103325135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).