[4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C19H18ClN3O3 — CID 170785348

IUPAC[4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3cc4ncnc(Cl)c4o3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H18ClN3O3/c1-11-8-23(9-12(2)25-11)19(24)14-5-3-13(4-6-14)16-7-15-17(26-16)18(20)22-10-21-15/h3-7,10-12H,8-9H2,1-2H3/t11-,12+
InChIKeyZFWTZGHCWQWUST-TXEJJXNPSA-N
MW371.82 g/mol
LogP3.79
Rot. Bonds2

About [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 170785348) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID170785348
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name[4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(-c3cc4ncnc(Cl)c4o3)cc2)C[C@H](C)O1
InChIInChI=1S/C19H18ClN3O3/c1-11-8-23(9-12(2)25-11)19(24)14-5-3-13(4-6-14)16-7-15-17(26-16)18(20)22-10-21-15/h3-7,10-12H,8-9H2,1-2H3/t11-,12+
InChIKeyZFWTZGHCWQWUST-TXEJJXNPSA-N
XLogP3.79
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Related Compounds

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-[2-(4-methylsulfinylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785539
[1-[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]cyclopropyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 175993350
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 170785348) is [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2ccc(-c3cc4ncnc(Cl)c4o3)cc2)C[C@H](C)O1.
What is the InChIKey of [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is ZFWTZGHCWQWUST-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-11-8-23(9-12(2)25-11)19(24)14-5-3-13(4-6-14)16-7-15-17(26-16)18(20)22-10-21-15/h3-7,10-12H,8-9H2,1-2H3/t11-,12+.
What are the key properties of [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 371.82 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorofuro[3,2-d]pyrimidin-6-yl)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 170785348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).