6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine

C14H22N4S — CID 103324668

IUPAC6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCN(C)c1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C14H22N4S/c1-4-6-7-8-18(3)12-11-9-10(5-2)19-13(11)17-14(15)16-12/h9H,4-8H2,1-3H3,(H2,15,16,17)
InChIKeyVISVFFRUGZOPFL-UHFFFAOYSA-N
MW278.43 g/mol
LogP3.46
Rot. Bonds6

About 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324668) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324668
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCCCCN(C)c1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C14H22N4S/c1-4-6-7-8-18(3)12-11-9-10(5-2)19-13(11)17-14(15)16-12/h9H,4-8H2,1-3H3,(H2,15,16,17)
InChIKeyVISVFFRUGZOPFL-UHFFFAOYSA-N
XLogP3.46
TPSA55.04 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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-N,4-N-dimethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324672
N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334096
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-butylamino]acetamide
CID 103326538
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]ethanol
CID 103325630
4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 103326256
6-ethyl-4-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327889
6-ethyl-4-N-(furan-2-ylmethyl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324904
N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N'-methylpentane-1,5-diamine
CID 107206962
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
6-ethyl-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329657
4-N,6-diethyl-4-N-(2-ethylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325707

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324668) is 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine is CCCCCN(C)c1nc(N)nc2sc(CC)cc12.
What is the InChIKey of 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VISVFFRUGZOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-6-7-8-18(3)12-11-9-10(5-2)19-13(11)17-14(15)16-12/h9H,4-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 278.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-methyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).