3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol

C24H31N5O2 — CID 142725410

IUPAC3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol
SMILESCCN(CC)CCNc1cc(CC(O)c2cc(C)cc(O)c2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H31N5O2/c1-4-29(5-2)10-9-26-23-15-20(27-24(28-23)18-7-6-8-25-16-18)14-22(31)19-11-17(3)12-21(30)13-19/h6-8,11-13,15-16,22,30-31H,4-5,9-10,14H2,1-3H3,(H,26,27,28)
InChIKeySYJGSRUKPRKISR-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.58
Rot. Bonds10

About 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol

3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol (PubChem CID 142725410) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol.

Molecular Properties

Compound Name3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol
PubChem CID142725410
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol
SMILESCCN(CC)CCNc1cc(CC(O)c2cc(C)cc(O)c2)nc(-c2cccnc2)n1
InChIInChI=1S/C24H31N5O2/c1-4-29(5-2)10-9-26-23-15-20(27-24(28-23)18-7-6-8-25-16-18)14-22(31)19-11-17(3)12-21(30)13-19/h6-8,11-13,15-16,22,30-31H,4-5,9-10,14H2,1-3H3,(H,26,27,28)
InChIKeySYJGSRUKPRKISR-UHFFFAOYSA-N
XLogP3.58
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol?
The IUPAC name of 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol (CID 142725410) is 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol.
What is the SMILES notation for 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol?
The canonical SMILES for 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol is CCN(CC)CCNc1cc(CC(O)c2cc(C)cc(O)c2)nc(-c2cccnc2)n1.
What is the InChIKey of 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol?
The InChIKey is SYJGSRUKPRKISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-29(5-2)10-9-26-23-15-20(27-24(28-23)18-7-6-8-25-16-18)14-22(31)19-11-17(3)12-21(30)13-19/h6-8,11-13,15-16,22,30-31H,4-5,9-10,14H2,1-3H3,(H,26,27,28).
What are the key properties of 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol?
3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol has a molecular weight of 421.55 g/mol, XLogP of 3.58, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpyrimidin-4-yl]-1-hydroxyethyl]-5-methylphenol is sourced from PubChem (CID 142725410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).