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

C20H30N4 — CID 58281690

IUPAC2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine
SMILESCCCc1cc(CCC)nc(-c2c(CCC)ncnc2CCC)n1
InChIInChI=1S/C20H30N4/c1-5-9-15-13-16(10-6-2)24-20(23-15)19-17(11-7-3)21-14-22-18(19)12-8-4/h13-14H,5-12H2,1-4H3
InChIKeyDRGOJHICTJEJEM-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.74
Rot. Bonds9

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

2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine (PubChem CID 58281690) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine.

Molecular Properties

Compound Name2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine
PubChem CID58281690
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine
SMILESCCCc1cc(CCC)nc(-c2c(CCC)ncnc2CCC)n1
InChIInChI=1S/C20H30N4/c1-5-9-15-13-16(10-6-2)24-20(23-15)19-17(11-7-3)21-14-22-18(19)12-8-4/h13-14H,5-12H2,1-4H3
InChIKeyDRGOJHICTJEJEM-UHFFFAOYSA-N
XLogP4.74
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine?
The IUPAC name of 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine (CID 58281690) is 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine.
What is the SMILES notation for 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine?
The canonical SMILES for 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine is CCCc1cc(CCC)nc(-c2c(CCC)ncnc2CCC)n1.
What is the InChIKey of 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine?
The InChIKey is DRGOJHICTJEJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-5-9-15-13-16(10-6-2)24-20(23-15)19-17(11-7-3)21-14-22-18(19)12-8-4/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine?
2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine has a molecular weight of 326.49 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dipropylpyrimidin-5-yl)-4,6-dipropylpyrimidine is sourced from PubChem (CID 58281690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).