10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C19H18N10O — CID 10216181

About 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 10216181) has the molecular formula C19H18N10O and a molecular weight of 402.42 g/mol. Its IUPAC name is 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

• Compound Name: 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
• PubChem CID: 10216181
• Molecular Formula: C19H18N10O
• Molecular Weight: 402.42 g/mol
• Exact Mass: 402.17
• IUPAC Name: 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
• SMILES: Nc1nc2c(cnn2CCN2CCc3ncncc3C2)c2nc(-c3ccco3)nn12
• InChI: InChI=1S/C19H18N10O/c20-19-25-17-13(18-24-16(26-29(18)19)15-2-1-7-30-15)9-23-28(17)6-5-27-4-3-14-12(10-27)8-21-11-22-14/h1-2,7-9,11H,3-6,10H2,(H2,20,25)
• InChIKey: DUPBUOFRJYKFEM-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 129.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.42
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The IUPAC name of 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 10216181) is 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

What is the SMILES notation for 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The canonical SMILES for 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is Nc1nc2c(cnn2CCN2CCc3ncncc3C2)c2nc(-c3ccco3)nn12.

What is the InChIKey of 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The InChIKey is DUPBUOFRJYKFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N10O/c20-19-25-17-13(18-24-16(26-29(18)19)15-2-1-7-30-15)9-23-28(17)6-5-27-4-3-14-12(10-27)8-21-11-22-14/h1-2,7-9,11H,3-6,10H2,(H2,20,25).

What are the key properties of 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 402.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethyl]-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 10216181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).