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

C15H24N4S — CID 103328905

IUPAC4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)CN(CC)c1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C15H24N4S/c1-6-10(3)9-19(7-2)13-12-8-11(4)20-14(12)18-15(16-5)17-13/h8,10H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyBJEROCIMCFOSPH-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.91
Rot. Bonds6

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

4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103328905) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103328905
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC(C)CN(CC)c1nc(NC)nc2sc(C)cc12
InChIInChI=1S/C15H24N4S/c1-6-10(3)9-19(7-2)13-12-8-11(4)20-14(12)18-15(16-5)17-13/h8,10H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyBJEROCIMCFOSPH-UHFFFAOYSA-N
XLogP3.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,6-dimethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325508
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320887
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085
4-N-(cyclopropylmethyl)-2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325739
2-N,4-N-diethyl-6-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324589
4-N-(3,3-dimethylbutan-2-yl)-2-N,4-N,6-trimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326567
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823
2-N,4-N,4-N-triethyl-6-N-methyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80836449
2-[methyl-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 103326513
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332952

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103328905) is 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCC(C)CN(CC)c1nc(NC)nc2sc(C)cc12.
What is the InChIKey of 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BJEROCIMCFOSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-10(3)9-19(7-2)13-12-8-11(4)20-14(12)18-15(16-5)17-13/h8,10H,6-7,9H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103328905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).