1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol

C11H15Cl2N3O3 — CID 86711745

IUPAC1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol
SMILESCC(O)COc1c(Cl)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C11H15Cl2N3O3/c1-7(17)6-19-8-9(12)14-11(13)15-10(8)16-2-4-18-5-3-16/h7,17H,2-6H2,1H3
InChIKeyXPMKBDKDJMKWIE-UHFFFAOYSA-N
MW308.17 g/mol
LogP1.38
Rot. Bonds4

About 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol

1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol (PubChem CID 86711745) has the molecular formula C11H15Cl2N3O3 and a molecular weight of 308.17 g/mol. Its IUPAC name is 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol
PubChem CID86711745
Molecular FormulaC11H15Cl2N3O3
Molecular Weight308.17 g/mol
Exact Mass307.05
IUPAC Name1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol
SMILESCC(O)COc1c(Cl)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C11H15Cl2N3O3/c1-7(17)6-19-8-9(12)14-11(13)15-10(8)16-2-4-18-5-3-16/h7,17H,2-6H2,1H3
InChIKeyXPMKBDKDJMKWIE-UHFFFAOYSA-N
XLogP1.38
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate
CID 126635968
(2S)-1-[4-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 86623521
(2S)-1-[(4-iodo-6-morpholin-4-yl-2-pyridinyl)oxy]propan-2-ol
CID 155160455
1-(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 91607698
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
4-[6-chloro-5-methoxy-2-(2-methoxyethyl)pyrimidin-4-yl]morpholine
CID 170520811
(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)methanol
CID 71299202
2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 146469522
2-chloro-4-morpholin-4-ylquinazolin-7-ol
CID 137308981
methyl (2E)-2-[(2-chloro-5-methyl-6-morpholin-4-ylpyrimidin-4-yl)methylidene]-3-methylpentanoate
CID 166164653
4-[2-chloro-6-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethoxy]-5-fluoropyrimidin-4-yl]morpholine
CID 71612925
2-chloro-5-fluoro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-6-morpholin-4-ylpyrimidin-4-amine
CID 87758133

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol?
The IUPAC name of 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol (CID 86711745) is 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol?
The canonical SMILES for 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol is CC(O)COc1c(Cl)nc(Cl)nc1N1CCOCC1.
What is the InChIKey of 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol?
The InChIKey is XPMKBDKDJMKWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O3/c1-7(17)6-19-8-9(12)14-11(13)15-10(8)16-2-4-18-5-3-16/h7,17H,2-6H2,1H3.
What are the key properties of 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol?
1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol has a molecular weight of 308.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-6-morpholin-4-ylpyrimidin-5-yl)oxypropan-2-ol is sourced from PubChem (CID 86711745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).