2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide

C21H23ClN6O — CID 70823675

About 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide

2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide (PubChem CID 70823675) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
• PubChem CID: 70823675
• Molecular Formula: C21H23ClN6O
• Molecular Weight: 410.91 g/mol
• Exact Mass: 410.16
• IUPAC Name: 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
• SMILES: Cc1cc(Nc2cc(NC(=O)c3c(C)cccc3Cl)ccn2)nc(NC(C)C)n1
• InChI: InChI=1S/C21H23ClN6O/c1-12(2)24-21-25-14(4)10-18(28-21)27-17-11-15(8-9-23-17)26-20(29)19-13(3)6-5-7-16(19)22/h5-12H,1-4H3,(H3,23,24,25,26,27,28,29)
• InChIKey: SITXMCDECSNGFH-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 91.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.91
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide?

The IUPAC name of 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide (CID 70823675) is 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide.

What is the SMILES notation for 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide?

The canonical SMILES for 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide is Cc1cc(Nc2cc(NC(=O)c3c(C)cccc3Cl)ccn2)nc(NC(C)C)n1.

What is the InChIKey of 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide?

The InChIKey is SITXMCDECSNGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c1-12(2)24-21-25-14(4)10-18(28-21)27-17-11-15(8-9-23-17)26-20(29)19-13(3)6-5-7-16(19)22/h5-12H,1-4H3,(H3,23,24,25,26,27,28,29).

What are the key properties of 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide?

2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide has a molecular weight of 410.91 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 70823675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).