3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline

C14H15ClN4O — CID 174537282

IUPAC3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline
SMILESNc1cccc(-c2cc(C3CNCCO3)nc(Cl)n2)c1
InChIInChI=1S/C14H15ClN4O/c15-14-18-11(9-2-1-3-10(16)6-9)7-12(19-14)13-8-17-4-5-20-13/h1-3,6-7,13,17H,4-5,8,16H2
InChIKeyGWQBNQBLWRBQLS-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.04
Rot. Bonds2

About 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline

3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline (PubChem CID 174537282) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline.

Molecular Properties

Compound Name3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline
PubChem CID174537282
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline
SMILESNc1cccc(-c2cc(C3CNCCO3)nc(Cl)n2)c1
InChIInChI=1S/C14H15ClN4O/c15-14-18-11(9-2-1-3-10(16)6-9)7-12(19-14)13-8-17-4-5-20-13/h1-3,6-7,13,17H,4-5,8,16H2
InChIKeyGWQBNQBLWRBQLS-UHFFFAOYSA-N
XLogP2.04
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174523685
[3-[4-(4-aminophenyl)-6-morpholin-2-ylpyrimidin-2-yl]phenyl]methanol
CID 174537284
3-[6-[(2R)-morpholin-2-yl]-2-pyridinyl]benzamide
CID 124977411
[3-(4-chloro-6-morpholin-2-ylpyrimidin-2-yl)phenyl]methanol
CID 174523651
2-morpholin-2-yl-5-phenylaniline
CID 175280978
2-[6-bromo-2-(3-nitrophenyl)pyrimidin-4-yl]morpholine
CID 174524972
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120835896
2-pyridin-2-ylmorpholine
CID 19353403
2-cinnolin-3-ylmorpholine
CID 116988006
N-[3-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]piperidine-4-carboxamide
CID 174523676
3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174735339
azane;2-phenylmorpholine
CID 174664757

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline?
The IUPAC name of 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline (CID 174537282) is 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline.
What is the SMILES notation for 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline?
The canonical SMILES for 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline is Nc1cccc(-c2cc(C3CNCCO3)nc(Cl)n2)c1.
What is the InChIKey of 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline?
The InChIKey is GWQBNQBLWRBQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-14-18-11(9-2-1-3-10(16)6-9)7-12(19-14)13-8-17-4-5-20-13/h1-3,6-7,13,17H,4-5,8,16H2.
What are the key properties of 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline?
3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline has a molecular weight of 290.75 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-morpholin-2-ylpyrimidin-4-yl)aniline is sourced from PubChem (CID 174537282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).