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

C17H16N6O — CID 67130050

IUPAC4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1[nH]nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
InChIInChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)
InChIKeyMDWXVGCLSBQVMP-UHFFFAOYSA-N
MW320.36 g/mol
LogP3.73
Rot. Bonds4

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

4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 67130050) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
PubChem CID67130050
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESCc1[nH]nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
InChIInChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)
InChIKeyMDWXVGCLSBQVMP-UHFFFAOYSA-N
XLogP3.73
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine (CID 67130050) is 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine is Cc1[nH]nc2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12.
What is the InChIKey of 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is MDWXVGCLSBQVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 320.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-(3-methyl-2H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 67130050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).