N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine

C27H30N8O2 — CID 166738358

About N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine

N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine (PubChem CID 166738358) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine
• PubChem CID: 166738358
• Molecular Formula: C27H30N8O2
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.25
• IUPAC Name: N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine
• SMILES: Cc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(-c5cc(CCN(C)C)[nH]n5)cc4n3)c2)c1
• InChI: InChI=1S/C27H30N8O2/c1-18-5-4-6-19(13-18)20-16-28-35(17-20)27-29-23-15-24(22-14-21(31-32-22)7-8-33(2)3)37-25(23)26(30-27)34-9-11-36-12-10-34/h4-6,13-17H,7-12H2,1-3H3,(H,31,32)
• InChIKey: PEYOUJAWWQTTPW-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 101.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine?

The IUPAC name of N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine (CID 166738358) is N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine.

What is the SMILES notation for N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine?

The canonical SMILES for N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine is Cc1cccc(-c2cnn(-c3nc(N4CCOCC4)c4oc(-c5cc(CCN(C)C)[nH]n5)cc4n3)c2)c1.

What is the InChIKey of N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine?

The InChIKey is PEYOUJAWWQTTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-18-5-4-6-19(13-18)20-16-28-35(17-20)27-29-23-15-24(22-14-21(31-32-22)7-8-33(2)3)37-25(23)26(30-27)34-9-11-36-12-10-34/h4-6,13-17H,7-12H2,1-3H3,(H,31,32).

What are the key properties of N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine?

N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine has a molecular weight of 498.59 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[3-[2-[4-(3-methylphenyl)pyrazol-1-yl]-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 166738358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).