4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine

C22H29N5O3 — CID 12624037

IUPAC4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
SMILESc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)c2N2CCOCC2)cc1
InChIInChI=1S/C22H29N5O3/c1-2-4-18(5-3-1)19-20(25-6-12-28-13-7-25)21(26-8-14-29-15-9-26)24-22(23-19)27-10-16-30-17-11-27/h1-5H,6-17H2
InChIKeyXWTNJUXOINNVHU-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.65
Rot. Bonds4

About 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine

4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine (PubChem CID 12624037) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine.

Molecular Properties

Compound Name4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
PubChem CID12624037
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine
SMILESc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)c2N2CCOCC2)cc1
InChIInChI=1S/C22H29N5O3/c1-2-4-18(5-3-1)19-20(25-6-12-28-13-7-25)21(26-8-14-29-15-9-26)24-22(23-19)27-10-16-30-17-11-27/h1-5H,6-17H2
InChIKeyXWTNJUXOINNVHU-UHFFFAOYSA-N
XLogP1.65
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1-phenylpyrido[3,2-f]quinazolin-3-yl)morpholine
CID 45276194
5-morpholin-4-yl-6-phenyl-2H-1,2,4-triazin-3-one
CID 11482308
acetic acid;ethane;4-(4-phenyl-7-propyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl)morpholine
CID 91001173
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431755
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
4-(4-ethyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 141367198
4-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]morpholine;hydrochloride
CID 6459337
4-[2-(4-methylpiperazin-4-ium-1-yl)quinazolin-4-yl]morpholine
CID 7349051
4-(4-benzyl-6-phenyl-1,3,5-triazin-2-yl)morpholine
CID 46854232
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
4-(5-methoxy-2-phenylpyrimidin-4-yl)morpholine
CID 3329093

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine?
The IUPAC name of 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine (CID 12624037) is 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine.
What is the SMILES notation for 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine?
The canonical SMILES for 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine is c1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)c2N2CCOCC2)cc1.
What is the InChIKey of 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine?
The InChIKey is XWTNJUXOINNVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-2-4-18(5-3-1)19-20(25-6-12-28-13-7-25)21(26-8-14-29-15-9-26)24-22(23-19)27-10-16-30-17-11-27/h1-5H,6-17H2.
What are the key properties of 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine?
4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine has a molecular weight of 411.51 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimorpholin-4-yl-6-phenylpyrimidin-5-yl)morpholine is sourced from PubChem (CID 12624037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).