4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C19H30N6 — CID 117079433

About 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 117079433) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
• PubChem CID: 117079433
• Molecular Formula: C19H30N6
• Molecular Weight: 342.49 g/mol
• Exact Mass: 342.25
• IUPAC Name: 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
• SMILES: Cc1cc(NCCN(C(C)C)C(C)C)nc(NCc2cccnc2)n1
• InChI: InChI=1S/C19H30N6/c1-14(2)25(15(3)4)10-9-21-18-11-16(5)23-19(24-18)22-13-17-7-6-8-20-12-17/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H2,21,22,23,24)
• InChIKey: PQAXALHVIUFLBS-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 65.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.49
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 117079433) is 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCCN(C(C)C)C(C)C)nc(NCc2cccnc2)n1.

What is the InChIKey of 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?

The InChIKey is PQAXALHVIUFLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-14(2)25(15(3)4)10-9-21-18-11-16(5)23-19(24-18)22-13-17-7-6-8-20-12-17/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H2,21,22,23,24).

What are the key properties of 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?

4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 117079433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).