2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol

C21H28N4O3 — CID 158695019

IUPAC2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol
SMILESOc1ccccc1CCCc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H28N4O3/c26-19-7-2-1-4-17(19)5-3-6-18-16-20(24-8-12-27-13-9-24)23-21(22-18)25-10-14-28-15-11-25/h1-2,4,7,16,26H,3,5-6,8-15H2
InChIKeyIGVCFQWWETVXDB-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.03
Rot. Bonds6

About 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol

2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol (PubChem CID 158695019) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol.

Molecular Properties

Compound Name2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol
PubChem CID158695019
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol
SMILESOc1ccccc1CCCc1cc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H28N4O3/c26-19-7-2-1-4-17(19)5-3-6-18-16-20(24-8-12-27-13-9-24)23-21(22-18)25-10-14-28-15-11-25/h1-2,4,7,16,26H,3,5-6,8-15H2
InChIKeyIGVCFQWWETVXDB-UHFFFAOYSA-N
XLogP2.03
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(2,6-dimorpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 51041576
4-(2,6-dipentylpyrimidin-4-yl)morpholine
CID 68736218
4-(2-morpholin-4-yl-6-pyrrolidin-1-ylpyrimidin-4-yl)morpholine
CID 67897493
4-[3-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-morpholin-4-ylpyrimidin-4-yl]propyl]cyclohexane-1-carboxamide
CID 118892198
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
2-(2-fluorophenyl)-1-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 122333558
2-[diazenyl-(2,6-dimorpholin-4-ylpyrimidin-4-yl)methyl]phenol
CID 123459435
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
CID 135087231
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
2-morpholin-4-yl-6-[2-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 74235769
2,6-dimorpholin-4-ylpyrimidine-4-carboxylate
CID 6989309

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol?
The IUPAC name of 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol (CID 158695019) is 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol.
What is the SMILES notation for 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol?
The canonical SMILES for 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol is Oc1ccccc1CCCc1cc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol?
The InChIKey is IGVCFQWWETVXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19-7-2-1-4-17(19)5-3-6-18-16-20(24-8-12-27-13-9-24)23-21(22-18)25-10-14-28-15-11-25/h1-2,4,7,16,26H,3,5-6,8-15H2.
What are the key properties of 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol?
2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol has a molecular weight of 384.48 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)propyl]phenol is sourced from PubChem (CID 158695019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).