4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

C25H28N6O — CID 127249190

About 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine

4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 127249190) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
• PubChem CID: 127249190
• Molecular Formula: C25H28N6O
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.23
• IUPAC Name: 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
• SMILES: Cc1cc(C)nc(Nc2ccc(C3CN(Cc4cn(C)c5ccccc45)CCO3)nc2)n1
• InChI: InChI=1S/C25H28N6O/c1-17-12-18(2)28-25(27-17)29-20-8-9-22(26-13-20)24-16-31(10-11-32-24)15-19-14-30(3)23-7-5-4-6-21(19)23/h4-9,12-14,24H,10-11,15-16H2,1-3H3,(H,27,28,29)
• InChIKey: GNMJZITUGZNBFD-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine (CID 127249190) is 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2ccc(C3CN(Cc4cn(C)c5ccccc45)CCO3)nc2)n1.

What is the InChIKey of 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?

The InChIKey is GNMJZITUGZNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-17-12-18(2)28-25(27-17)29-20-8-9-22(26-13-20)24-16-31(10-11-32-24)15-19-14-30(3)23-7-5-4-6-21(19)23/h4-9,12-14,24H,10-11,15-16H2,1-3H3,(H,27,28,29).

What are the key properties of 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine?

4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 428.54 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-N-[6-[4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 127249190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).