2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C19H27N7S — CID 146645354

IUPAC2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC1CC(Nc2nc(Nc3cc(C)[nH]n3)c3ccsc3n2)CC(CC)N1
InChIInChI=1S/C19H27N7S/c1-4-12-9-14(10-13(5-2)20-12)21-19-23-17(15-6-7-27-18(15)24-19)22-16-8-11(3)25-26-16/h6-8,12-14,20H,4-5,9-10H2,1-3H3,(H3,21,22,23,24,25,26)
InChIKeyMLFJFAXACJJPOQ-UHFFFAOYSA-N
MW385.54 g/mol
LogP4.19
Rot. Bonds6

About 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 146645354) has the molecular formula C19H27N7S and a molecular weight of 385.54 g/mol. Its IUPAC name is 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID146645354
Molecular FormulaC19H27N7S
Molecular Weight385.54 g/mol
Exact Mass385.20
IUPAC Name2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCC1CC(Nc2nc(Nc3cc(C)[nH]n3)c3ccsc3n2)CC(CC)N1
InChIInChI=1S/C19H27N7S/c1-4-12-9-14(10-13(5-2)20-12)21-19-23-17(15-6-7-27-18(15)24-19)22-16-8-11(3)25-26-16/h6-8,12-14,20H,4-5,9-10H2,1-3H3,(H3,21,22,23,24,25,26)
InChIKeyMLFJFAXACJJPOQ-UHFFFAOYSA-N
XLogP4.19
TPSA90.55 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 146645354) is 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCC1CC(Nc2nc(Nc3cc(C)[nH]n3)c3ccsc3n2)CC(CC)N1.
What is the InChIKey of 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MLFJFAXACJJPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7S/c1-4-12-9-14(10-13(5-2)20-12)21-19-23-17(15-6-7-27-18(15)24-19)22-16-8-11(3)25-26-16/h6-8,12-14,20H,4-5,9-10H2,1-3H3,(H3,21,22,23,24,25,26).
What are the key properties of 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 385.54 g/mol, XLogP of 4.19, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-diethylpiperidin-4-yl)-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 146645354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).