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

C18H12BrN7S — CID 59130282

IUPAC2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESBrc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1
InChIInChI=1S/C18H12BrN7S/c19-11-1-4-15(20-9-11)24-18-23-14-5-6-27-16(14)17(25-18)22-12-2-3-13-10(7-12)8-21-26-13/h1-9H,(H,21,26)(H2,20,22,23,24,25)
InChIKeyKPNXDNUKSAMTMS-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.21
Rot. Bonds4

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

2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 59130282) has the molecular formula C18H12BrN7S and a molecular weight of 438.31 g/mol. Its IUPAC name is 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID59130282
Molecular FormulaC18H12BrN7S
Molecular Weight438.31 g/mol
Exact Mass437.01
IUPAC Name2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESBrc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1
InChIInChI=1S/C18H12BrN7S/c19-11-1-4-15(20-9-11)24-18-23-14-5-6-27-16(14)17(25-18)22-12-2-3-13-10(7-12)8-21-26-13/h1-9H,(H,21,26)(H2,20,22,23,24,25)
InChIKeyKPNXDNUKSAMTMS-UHFFFAOYSA-N
XLogP5.21
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(1H-indazol-5-yl)-2-N-isoquinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 59130283
2-N-cyclopentyl-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130365
5-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-1H-pyridin-2-one
CID 142265210
2-N-(6-bromo-1,3-benzothiazol-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-2-ylthieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
CID 162005828
4-N-(1H-indazol-5-yl)-2-N-(naphthalen-1-ylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130295
4-N-(1H-indazol-5-yl)-2-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 10216807
2-(5-bromo-2,3-dihydroindol-1-yl)-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 59130314
2-N-(3-chloro-4-morpholin-4-ylphenyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 59130336
4-N-(1H-indazol-5-yl)-2-N-[[3-(iodomethyl)-4-methylphenyl]methyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 89329732
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
2-N-[3-cyclopropyl-1-methyl-2-(trifluoromethyl)tetrazole-1,3-diium-5-yl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 58988162
N-(1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 78324014

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 59130282) is 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is Brc1ccc(Nc2nc(Nc3ccc4[nH]ncc4c3)c3sccc3n2)nc1.
What is the InChIKey of 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is KPNXDNUKSAMTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN7S/c19-11-1-4-15(20-9-11)24-18-23-14-5-6-27-16(14)17(25-18)22-12-2-3-13-10(7-12)8-21-26-13/h1-9H,(H,21,26)(H2,20,22,23,24,25).
What are the key properties of 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 438.31 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-pyridinyl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 59130282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).