2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

C16H24N4S — CID 107415805

IUPAC2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC2CCC(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C16H24N4S/c1-4-17-16-19-14(13-8-11(3)21-15(13)20-16)18-9-12-6-5-10(2)7-12/h8,10,12H,4-7,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyAUTGKOFVEDGKRQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.28
Rot. Bonds5

About 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 107415805) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID107415805
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCC2CCC(C)C2)c2cc(C)sc2n1
InChIInChI=1S/C16H24N4S/c1-4-17-16-19-14(13-8-11(3)21-15(13)20-16)18-9-12-6-5-10(2)7-12/h8,10,12H,4-7,9H2,1-3H3,(H2,17,18,19,20)
InChIKeyAUTGKOFVEDGKRQ-UHFFFAOYSA-N
XLogP4.28
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(cyclopropylmethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324169
4-N-(3-cyclopropylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330558
4-N-(2-cyclopentylethyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325352
6-methyl-4-N-[(4-methylcyclohexyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327663
5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328236
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
2-N-ethyl-6-methyl-4-N-(3-propoxypropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329480
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106378642

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine (CID 107415805) is 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCC2CCC(C)C2)c2cc(C)sc2n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is AUTGKOFVEDGKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-17-16-19-14(13-8-11(3)21-15(13)20-16)18-9-12-6-5-10(2)7-12/h8,10,12H,4-7,9H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 107415805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).