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

C19H13N5S — CID 18382857

IUPACN-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ncc5c4)c3s2)cc1
InChIInChI=1S/C19H13N5S/c1-2-4-12(5-3-1)17-9-16-18(25-17)19(21-11-20-16)23-14-6-7-15-13(8-14)10-22-24-15/h1-11H,(H,22,24)(H,20,21,23)
InChIKeyDVHQLHFIAMSFGW-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.98
Rot. Bonds3

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

N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 18382857) has the molecular formula C19H13N5S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
PubChem CID18382857
Molecular FormulaC19H13N5S
Molecular Weight343.42 g/mol
Exact Mass343.09
IUPAC NameN-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SMILESc1ccc(-c2cc3ncnc(Nc4ccc5[nH]ncc5c4)c3s2)cc1
InChIInChI=1S/C19H13N5S/c1-2-4-12(5-3-1)17-9-16-18(25-17)19(21-11-20-16)23-14-6-7-15-13(8-14)10-22-24-15/h1-11H,(H,22,24)(H,20,21,23)
InChIKeyDVHQLHFIAMSFGW-UHFFFAOYSA-N
XLogP4.98
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine (CID 18382857) is N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is c1ccc(-c2cc3ncnc(Nc4ccc5[nH]ncc5c4)c3s2)cc1.
What is the InChIKey of N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DVHQLHFIAMSFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S/c1-2-4-12(5-3-1)17-9-16-18(25-17)19(21-11-20-16)23-14-6-7-15-13(8-14)10-22-24-15/h1-11H,(H,22,24)(H,20,21,23).
What are the key properties of N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine?
N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 343.42 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 18382857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).