2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine

C16H24N4S — CID 103328619

IUPAC2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2CCCCCC2C)c2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-3-17-16-19-14(12-9-10-21-15(12)20-16)18-13-8-6-4-5-7-11(13)2/h9-11,13H,3-8H2,1-2H3,(H2,17,18,19,20)
InChIKeySHFIVPSWSXIGAS-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.50
Rot. Bonds4

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

2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328619) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328619
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2CCCCCC2C)c2ccsc2n1
InChIInChI=1S/C16H24N4S/c1-3-17-16-19-14(12-9-10-21-15(12)20-16)18-13-8-6-4-5-7-11(13)2/h9-11,13H,3-8H2,1-2H3,(H2,17,18,19,20)
InChIKeySHFIVPSWSXIGAS-UHFFFAOYSA-N
XLogP4.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(2-methylcyclopentyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327686
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
CID 103329709
2-chloro-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321967
4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328211
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516
4-N-(1,2-dimethylpiperidin-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329284
N-ethyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323789
2-N-ethyl-5-fluoro-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777660
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
2-N-ethyl-4-N-(1-methylcyclobutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330161
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286
2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80611795

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328619) is 2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC2CCCCCC2C)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is SHFIVPSWSXIGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-17-16-19-14(12-9-10-21-15(12)20-16)18-13-8-6-4-5-7-11(13)2/h9-11,13H,3-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 304.46 g/mol, XLogP of 4.50, 4 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-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).