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

C16H17N7O — CID 67129963

IUPAC4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESNCCCNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
InChIInChI=1S/C16H17N7O/c17-5-1-6-18-15-14-12(4-7-24-14)21-16(22-15)20-11-3-2-10-9-19-23-13(10)8-11/h2-4,7-9H,1,5-6,17H2,(H,19,23)(H2,18,20,21,22)
InChIKeyBGVCUANBSTWRDY-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.60
Rot. Bonds6

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

4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 67129963) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
PubChem CID67129963
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine
SMILESNCCCNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
InChIInChI=1S/C16H17N7O/c17-5-1-6-18-15-14-12(4-7-24-14)21-16(22-15)20-11-3-2-10-9-19-23-13(10)8-11/h2-4,7-9H,1,5-6,17H2,(H,19,23)(H2,18,20,21,22)
InChIKeyBGVCUANBSTWRDY-UHFFFAOYSA-N
XLogP2.60
TPSA117.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine (CID 67129963) is 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine is NCCCNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12.
What is the InChIKey of 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is BGVCUANBSTWRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c17-5-1-6-18-15-14-12(4-7-24-14)21-16(22-15)20-11-3-2-10-9-19-23-13(10)8-11/h2-4,7-9H,1,5-6,17H2,(H,19,23)(H2,18,20,21,22).
What are the key properties of 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine?
4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 323.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-aminopropyl)-2-N-(1H-indazol-6-yl)furo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 67129963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).