[4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol

C17H20ClN3O4 — CID 118238355

IUPAC[4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol
SMILESCOc1ccc(COc2cnc(Cl)nc2N2CCOCC2CO)cc1
InChIInChI=1S/C17H20ClN3O4/c1-23-14-4-2-12(3-5-14)10-25-15-8-19-17(18)20-16(15)21-6-7-24-11-13(21)9-22/h2-5,8,13,22H,6-7,9-11H2,1H3
InChIKeyMIRXFTOXJWGCAP-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.92
Rot. Bonds6

About [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol

[4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol (PubChem CID 118238355) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol
PubChem CID118238355
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name[4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol
SMILESCOc1ccc(COc2cnc(Cl)nc2N2CCOCC2CO)cc1
InChIInChI=1S/C17H20ClN3O4/c1-23-14-4-2-12(3-5-14)10-25-15-8-19-17(18)20-16(15)21-6-7-24-11-13(21)9-22/h2-5,8,13,22H,6-7,9-11H2,1H3
InChIKeyMIRXFTOXJWGCAP-UHFFFAOYSA-N
XLogP1.92
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-methoxyphenyl)morpholin-3-yl]methanol
CID 117009227
[(3R)-4-[(4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 163376784
[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
CID 87758454
[4-(5-chloro-2-methoxyphenyl)morpholin-3-yl]methanol
CID 117009222
[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-[(3R)-3-ethylmorpholin-4-yl]methanone
CID 159258985
[(3S)-3-(bromomethyl)morpholin-4-yl]-[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]methanone
CID 154612315
4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(3R)-3-(hydroxymethyl)morpholin-4-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CID 118720072
1-[2-chloro-6-[(3S)-3-ethylmorpholin-4-yl]pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 155401758
[(3S)-4-[(3-chloro-4-methoxyphenyl)methyl]morpholin-3-yl]methanol
CID 99930605
[1-(2-chloro-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 79075782
4-[5-[(4-methoxyphenyl)methoxy]-2-methylquinazolin-7-yl]morpholine
CID 139330647
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212

Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol?
The IUPAC name of [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol (CID 118238355) is [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol is COc1ccc(COc2cnc(Cl)nc2N2CCOCC2CO)cc1.
What is the InChIKey of [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol?
The InChIKey is MIRXFTOXJWGCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-23-14-4-2-12(3-5-14)10-25-15-8-19-17(18)20-16(15)21-6-7-24-11-13(21)9-22/h2-5,8,13,22H,6-7,9-11H2,1H3.
What are the key properties of [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol?
[4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol has a molecular weight of 365.82 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-5-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]morpholin-3-yl]methanol is sourced from PubChem (CID 118238355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).