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

C20H19N7S — CID 142265231

IUPAC4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC1C=CC(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)=NC1
InChIInChI=1S/C20H19N7S/c1-12-2-3-15(21-9-12)11-22-20-25-17-6-7-28-18(17)19(26-20)24-14-4-5-16-13(8-14)10-23-27-16/h2-8,10,12H,9,11H2,1H3,(H,23,27)(H2,22,24,25,26)
InChIKeyYRIWCERHVGZRQA-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.37
Rot. Bonds5

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

4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 142265231) has the molecular formula C20H19N7S and a molecular weight of 389.49 g/mol. Its IUPAC name is 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID142265231
Molecular FormulaC20H19N7S
Molecular Weight389.49 g/mol
Exact Mass389.14
IUPAC Name4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC1C=CC(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)=NC1
InChIInChI=1S/C20H19N7S/c1-12-2-3-15(21-9-12)11-22-20-25-17-6-7-28-18(17)19(26-20)24-14-4-5-16-13(8-14)10-23-27-16/h2-8,10,12H,9,11H2,1H3,(H,23,27)(H2,22,24,25,26)
InChIKeyYRIWCERHVGZRQA-UHFFFAOYSA-N
XLogP4.37
TPSA90.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 142265231) is 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine is CC1C=CC(CNc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)=NC1.
What is the InChIKey of 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is YRIWCERHVGZRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7S/c1-12-2-3-15(21-9-12)11-22-20-25-17-6-7-28-18(17)19(26-20)24-14-4-5-16-13(8-14)10-23-27-16/h2-8,10,12H,9,11H2,1H3,(H,23,27)(H2,22,24,25,26).
What are the key properties of 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 389.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indazol-5-yl)-2-N-[(3-methyl-2,3-dihydropyridin-6-yl)methyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 142265231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).