7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine

C16H14N6O — CID 68751546

IUPAC7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc3cn[nH]c3c2)nc2c(C3CC3)coc12
InChIInChI=1S/C16H14N6O/c17-15-14-13(11(7-23-14)8-1-2-8)20-16(21-15)19-10-4-3-9-6-18-22-12(9)5-10/h3-8H,1-2H2,(H,18,22)(H3,17,19,20,21)
InChIKeyYKPDJCJULOYYQI-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.30
Rot. Bonds3

About 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine

7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 68751546) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
PubChem CID68751546
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc3cn[nH]c3c2)nc2c(C3CC3)coc12
InChIInChI=1S/C16H14N6O/c17-15-14-13(11(7-23-14)8-1-2-8)20-16(21-15)19-10-4-3-9-6-18-22-12(9)5-10/h3-8H,1-2H2,(H,18,22)(H3,17,19,20,21)
InChIKeyYKPDJCJULOYYQI-UHFFFAOYSA-N
XLogP3.30
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine (CID 68751546) is 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine is Nc1nc(Nc2ccc3cn[nH]c3c2)nc2c(C3CC3)coc12.
What is the InChIKey of 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is YKPDJCJULOYYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-15-14-13(11(7-23-14)8-1-2-8)20-16(21-15)19-10-4-3-9-6-18-22-12(9)5-10/h3-8H,1-2H2,(H,18,22)(H3,17,19,20,21).
What are the key properties of 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 306.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 68751546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).