4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine

C19H21N7OS — CID 10237588

IUPAC4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1cc2nc(NCCN3CCOCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1
InChIInChI=1S/C19H21N7OS/c1-2-15-13(12-21-25-15)11-14(1)22-18-17-16(3-10-28-17)23-19(24-18)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,21,25)(H2,20,22,23,24)
InChIKeyQDCQTIYQCMXEGM-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.06
Rot. Bonds6

About 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine

4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 10237588) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID10237588
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1cc2nc(NCCN3CCOCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1
InChIInChI=1S/C19H21N7OS/c1-2-15-13(12-21-25-15)11-14(1)22-18-17-16(3-10-28-17)23-19(24-18)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,21,25)(H2,20,22,23,24)
InChIKeyQDCQTIYQCMXEGM-UHFFFAOYSA-N
XLogP3.06
TPSA90.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 10237588) is 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine is c1cc2nc(NCCN3CCOCC3)nc(Nc3ccc4[nH]ncc4c3)c2s1.
What is the InChIKey of 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is QDCQTIYQCMXEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-2-15-13(12-21-25-15)11-14(1)22-18-17-16(3-10-28-17)23-19(24-18)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,21,25)(H2,20,22,23,24).
What are the key properties of 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 395.49 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)-2-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10237588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).