2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine

C50H72N10 — CID 58281689

About 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine

2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine (PubChem CID 58281689) has the molecular formula C50H72N10 and a molecular weight of 813.20 g/mol. Its IUPAC name is 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine.

Molecular Properties

• Compound Name: 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine
• PubChem CID: 58281689
• Molecular Formula: C50H72N10
• Molecular Weight: 813.20 g/mol
• Exact Mass: 812.59
• IUPAC Name: 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine
• SMILES: CCCc1cc(CCC)nc(-c2c(CCC)nc(-c3c(CCC)nc(-c4c(CCC)nc(-c5c(CCC)ncnc5CCC)nc4CCC)nc3CCC)nc2CCC)n1
• InChI: InChI=1S/C50H72N10/c1-11-21-33-31-34(22-12-2)54-47(53-33)44-37(25-15-5)57-49(58-38(44)26-16-6)46-41(29-19-9)59-50(60-42(46)30-20-10)45-39(27-17-7)55-48(56-40(45)28-18-8)43-35(23-13-3)51-32-52-36(43)24-14-4/h31-32H,11-30H2,1-10H3
• InChIKey: TWWFZJRBTCRHCI-UHFFFAOYSA-N
• XLogP: 11.83
• TPSA: 128.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.20
LogP ≤ 5	11.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine?

The IUPAC name of 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine (CID 58281689) is 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine.

What is the SMILES notation for 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine?

The canonical SMILES for 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine is CCCc1cc(CCC)nc(-c2c(CCC)nc(-c3c(CCC)nc(-c4c(CCC)nc(-c5c(CCC)ncnc5CCC)nc4CCC)nc3CCC)nc2CCC)n1.

What is the InChIKey of 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine?

The InChIKey is TWWFZJRBTCRHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H72N10/c1-11-21-33-31-34(22-12-2)54-47(53-33)44-37(25-15-5)57-49(58-38(44)26-16-6)46-41(29-19-9)59-50(60-42(46)30-20-10)45-39(27-17-7)55-48(56-40(45)28-18-8)43-35(23-13-3)51-32-52-36(43)24-14-4/h31-32H,11-30H2,1-10H3.

What are the key properties of 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine?

2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine has a molecular weight of 813.20 g/mol, XLogP of 11.83, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dipropylpyrimidin-5-yl)-5-[5-[5-(4,6-dipropylpyrimidin-2-yl)-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidin-2-yl]-4,6-dipropylpyrimidine is sourced from PubChem (CID 58281689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).