2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C19H16N6S — CID 89112562

IUPAC2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESNc1cccc(-c2nc3c(c(Nc4ccc5[nH]ncc5c4)n2)SCC3)c1
InChIInChI=1S/C19H16N6S/c20-13-3-1-2-11(8-13)18-23-16-6-7-26-17(16)19(24-18)22-14-4-5-15-12(9-14)10-21-25-15/h1-5,8-10H,6-7,20H2,(H,21,25)(H,22,23,24)
InChIKeyYWZGFYQTRWYBFE-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.99
Rot. Bonds3

About 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 89112562) has the molecular formula C19H16N6S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID89112562
Molecular FormulaC19H16N6S
Molecular Weight360.45 g/mol
Exact Mass360.12
IUPAC Name2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESNc1cccc(-c2nc3c(c(Nc4ccc5[nH]ncc5c4)n2)SCC3)c1
InChIInChI=1S/C19H16N6S/c20-13-3-1-2-11(8-13)18-23-16-6-7-26-17(16)19(24-18)22-14-4-5-15-12(9-14)10-21-25-15/h1-5,8-10H,6-7,20H2,(H,21,25)(H,22,23,24)
InChIKeyYWZGFYQTRWYBFE-UHFFFAOYSA-N
XLogP3.99
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6-methoxy-7-(2-methoxyethoxy)quinazolin-4-amine
CID 89271177
6-(3-aminophenyl)-N-(1H-indazol-5-yl)imidazo[1,2-a]pyrazin-8-amine
CID 57447602
2-(3-aminophenyl)-4-(1H-indazol-5-ylamino)quinazolin-3-ium-6-ol
CID 152919712
N-(1H-indazol-5-yl)-2-[3-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
CID 67135306
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
CID 10221716
ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 90856959
2-[4-(dimethylamino)phenyl]-N-(1H-indazol-5-yl)quinazolin-4-amine
CID 10156619
N-[2-(3,4-difluorophenyl)-5-fluoropyrimidin-4-yl]-1H-indazol-5-amine
CID 122589652
2-(dimethylamino)-N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 59361917
(E)-N-(2-fluorocyclopropyl)-3-[3-[4-(1H-indazol-5-ylamino)-5-methylpyrimidin-2-yl]phenyl]prop-2-enamide
CID 166983780
2-(3-chlorophenyl)-N-[4-(tetrazolidin-5-ylmethyl)phenyl]-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-amine
CID 165414768
5-(4-amino-2-pyridinyl)-N-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-amine;ethane
CID 145146553

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 89112562) is 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Nc1cccc(-c2nc3c(c(Nc4ccc5[nH]ncc5c4)n2)SCC3)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is YWZGFYQTRWYBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6S/c20-13-3-1-2-11(8-13)18-23-16-6-7-26-17(16)19(24-18)22-14-4-5-15-12(9-14)10-21-25-15/h1-5,8-10H,6-7,20H2,(H,21,25)(H,22,23,24).
What are the key properties of 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 360.45 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1H-indazol-5-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 89112562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).