6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H21N5S — CID 103324772

IUPAC6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NC3CCN(C)CC3)nc(N)nc2s1
InChIInChI=1S/C14H21N5S/c1-3-10-8-11-12(17-14(15)18-13(11)20-10)16-9-4-6-19(2)7-5-9/h8-9H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyGVRPWWLJZUAFID-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.34
Rot. Bonds3

About 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324772) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324772
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NC3CCN(C)CC3)nc(N)nc2s1
InChIInChI=1S/C14H21N5S/c1-3-10-8-11-12(17-14(15)18-13(11)20-10)16-9-4-6-19(2)7-5-9/h8-9H,3-7H2,1-2H3,(H3,15,16,17,18)
InChIKeyGVRPWWLJZUAFID-UHFFFAOYSA-N
XLogP2.34
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324441
6-ethyl-4-N-(thiolan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330885
6-ethyl-4-N-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329523
6-ethyl-4-N-(oxan-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327762
6-ethyl-4-N-(3-ethylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328382
6-ethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323837
[2-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 103328658
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329267
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321272

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324772) is 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NC3CCN(C)CC3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is GVRPWWLJZUAFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-3-10-8-11-12(17-14(15)18-13(11)20-10)16-9-4-6-19(2)7-5-9/h8-9H,3-7H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).